USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= 0.258 USER MOD Set 1.2: A 36 THR OG1 : rot 105:sc= 0.149 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00693 X(o=-0.0069,f=-0.12) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 13:sc= -1.33 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -140:sc= -0.437 USER MOD Single : A 19 THR OG1 : rot -138:sc= 0.548 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.505 (180deg=-1.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.152) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.41! C(o=-9.4!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.59) USER MOD Single : A 54 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.32) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00325 (180deg=-0.14) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.171 (180deg=-0.743) USER MOD Single : A 65 SER OG : rot -170:sc= -0.484 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.012 -2.021 -0.435 1.00 61.24 N ATOM 2 CA MET A 1 4.645 -1.098 0.632 1.00 53.10 C ATOM 3 C MET A 1 4.814 0.349 0.181 1.00 2.42 C ATOM 4 O MET A 1 5.907 0.912 0.263 1.00 32.30 O ATOM 5 CB MET A 1 5.495 -1.360 1.877 1.00 51.53 C ATOM 6 CG MET A 1 4.841 -2.305 2.871 1.00 23.23 C ATOM 7 SD MET A 1 5.795 -2.483 4.391 1.00 43.20 S ATOM 8 CE MET A 1 5.081 -1.181 5.393 1.00 22.20 C ATOM 0 H1 MET A 1 4.889 -3.000 -0.105 1.00 61.24 H new ATOM 0 H2 MET A 1 4.403 -1.855 -1.262 1.00 61.24 H new ATOM 0 H3 MET A 1 6.006 -1.867 -0.700 1.00 61.24 H new ATOM 0 HA MET A 1 3.596 -1.263 0.877 1.00 53.10 H new ATOM 0 HB2 MET A 1 6.455 -1.776 1.571 1.00 51.53 H new ATOM 0 HB3 MET A 1 5.702 -0.411 2.372 1.00 51.53 H new ATOM 0 HG2 MET A 1 3.844 -1.938 3.113 1.00 23.23 H new ATOM 0 HG3 MET A 1 4.716 -3.284 2.408 1.00 23.23 H new ATOM 0 HE1 MET A 1 5.568 -1.163 6.368 1.00 22.20 H new ATOM 0 HE2 MET A 1 5.225 -0.221 4.898 1.00 22.20 H new ATOM 0 HE3 MET A 1 4.015 -1.366 5.524 1.00 22.20 H new ATOM 18 N HIS A 2 3.727 0.948 -0.295 1.00 72.52 N ATOM 19 CA HIS A 2 3.756 2.330 -0.759 1.00 11.22 C ATOM 20 C HIS A 2 4.849 2.530 -1.804 1.00 61.11 C ATOM 21 O HIS A 2 5.846 3.206 -1.552 1.00 4.40 O ATOM 22 CB HIS A 2 3.980 3.280 0.418 1.00 14.30 C ATOM 23 CG HIS A 2 3.063 3.026 1.575 1.00 5.43 C ATOM 24 ND1 HIS A 2 1.772 2.568 1.426 1.00 33.41 N ATOM 25 CD2 HIS A 2 3.259 3.168 2.907 1.00 3.22 C ATOM 26 CE1 HIS A 2 1.212 2.440 2.616 1.00 70.11 C ATOM 27 NE2 HIS A 2 2.094 2.797 3.532 1.00 51.52 N ATOM 0 H HIS A 2 2.815 0.498 -0.369 1.00 72.52 H new ATOM 0 HA HIS A 2 2.793 2.553 -1.219 1.00 11.22 H new ATOM 0 HB2 HIS A 2 5.012 3.189 0.756 1.00 14.30 H new ATOM 0 HB3 HIS A 2 3.845 4.306 0.077 1.00 14.30 H new ATOM 0 HD2 HIS A 2 4.163 3.510 3.388 1.00 3.22 H new ATOM 0 HE1 HIS A 2 0.205 2.101 2.807 1.00 70.11 H new ATOM 0 HE2 HIS A 2 1.936 2.797 4.540 1.00 51.52 H new ATOM 35 N ASP A 3 4.655 1.937 -2.977 1.00 21.43 N ATOM 36 CA ASP A 3 5.624 2.050 -4.060 1.00 63.55 C ATOM 37 C ASP A 3 5.726 3.491 -4.551 1.00 20.54 C ATOM 38 O ASP A 3 6.814 3.976 -4.860 1.00 3.43 O ATOM 39 CB ASP A 3 5.235 1.130 -5.219 1.00 63.11 C ATOM 40 CG ASP A 3 5.982 -0.189 -5.187 1.00 44.14 C ATOM 41 OD1 ASP A 3 7.154 -0.217 -5.619 1.00 32.22 O ATOM 42 OD2 ASP A 3 5.395 -1.193 -4.732 1.00 44.01 O ATOM 0 H ASP A 3 3.835 1.373 -3.202 1.00 21.43 H new ATOM 0 HA ASP A 3 6.598 1.746 -3.676 1.00 63.55 H new ATOM 0 HB2 ASP A 3 4.163 0.938 -5.182 1.00 63.11 H new ATOM 0 HB3 ASP A 3 5.436 1.635 -6.164 1.00 63.11 H new ATOM 47 N TYR A 4 4.586 4.168 -4.620 1.00 54.10 N ATOM 48 CA TYR A 4 4.546 5.552 -5.076 1.00 53.51 C ATOM 49 C TYR A 4 5.542 6.410 -4.302 1.00 63.01 C ATOM 50 O TYR A 4 6.161 7.318 -4.859 1.00 35.21 O ATOM 51 CB TYR A 4 3.135 6.123 -4.919 1.00 21.23 C ATOM 52 CG TYR A 4 2.644 6.138 -3.489 1.00 22.03 C ATOM 53 CD1 TYR A 4 2.119 4.993 -2.902 1.00 13.21 C ATOM 54 CD2 TYR A 4 2.705 7.297 -2.725 1.00 33.22 C ATOM 55 CE1 TYR A 4 1.668 5.002 -1.596 1.00 2.41 C ATOM 56 CE2 TYR A 4 2.258 7.315 -1.418 1.00 30.23 C ATOM 57 CZ TYR A 4 1.740 6.165 -0.858 1.00 4.41 C ATOM 58 OH TYR A 4 1.293 6.180 0.443 1.00 21.44 O ATOM 0 H TYR A 4 3.677 3.781 -4.366 1.00 54.10 H new ATOM 0 HA TYR A 4 4.822 5.568 -6.130 1.00 53.51 H new ATOM 0 HB2 TYR A 4 3.118 7.140 -5.311 1.00 21.23 H new ATOM 0 HB3 TYR A 4 2.445 5.536 -5.525 1.00 21.23 H new ATOM 0 HD1 TYR A 4 2.063 4.080 -3.477 1.00 13.21 H new ATOM 0 HD2 TYR A 4 3.109 8.199 -3.160 1.00 33.22 H new ATOM 0 HE1 TYR A 4 1.261 4.104 -1.156 1.00 2.41 H new ATOM 0 HE2 TYR A 4 2.314 8.224 -0.838 1.00 30.23 H new ATOM 0 HH TYR A 4 1.416 7.076 0.821 1.00 21.44 H new ATOM 68 N ILE A 5 5.693 6.115 -3.015 1.00 72.54 N ATOM 69 CA ILE A 5 6.615 6.856 -2.165 1.00 2.23 C ATOM 70 C ILE A 5 8.026 6.845 -2.743 1.00 23.54 C ATOM 71 O ILE A 5 8.815 7.759 -2.503 1.00 22.22 O ATOM 72 CB ILE A 5 6.652 6.279 -0.737 1.00 43.03 C ATOM 73 CG1 ILE A 5 6.697 7.410 0.292 1.00 31.15 C ATOM 74 CG2 ILE A 5 7.850 5.356 -0.570 1.00 70.23 C ATOM 75 CD1 ILE A 5 7.853 8.365 0.092 1.00 73.33 C ATOM 0 H ILE A 5 5.188 5.368 -2.539 1.00 72.54 H new ATOM 0 HA ILE A 5 6.250 7.882 -2.124 1.00 2.23 H new ATOM 0 HB ILE A 5 5.744 5.698 -0.572 1.00 43.03 H new ATOM 0 HG12 ILE A 5 5.763 7.969 0.246 1.00 31.15 H new ATOM 0 HG13 ILE A 5 6.762 6.979 1.291 1.00 31.15 H new ATOM 0 HG21 ILE A 5 7.863 4.956 0.444 1.00 70.23 H new ATOM 0 HG22 ILE A 5 7.779 4.535 -1.283 1.00 70.23 H new ATOM 0 HG23 ILE A 5 8.768 5.915 -0.751 1.00 70.23 H new ATOM 0 HD11 ILE A 5 7.821 9.140 0.857 1.00 73.33 H new ATOM 0 HD12 ILE A 5 8.793 7.819 0.168 1.00 73.33 H new ATOM 0 HD13 ILE A 5 7.779 8.825 -0.893 1.00 73.33 H new ATOM 87 N LYS A 6 8.338 5.804 -3.507 1.00 70.52 N ATOM 88 CA LYS A 6 9.653 5.673 -4.123 1.00 71.44 C ATOM 89 C LYS A 6 9.801 6.633 -5.300 1.00 33.45 C ATOM 90 O LYS A 6 10.910 7.035 -5.648 1.00 22.41 O ATOM 91 CB LYS A 6 9.877 4.234 -4.594 1.00 62.14 C ATOM 92 CG LYS A 6 9.455 3.992 -6.033 1.00 40.23 C ATOM 93 CD LYS A 6 10.603 4.231 -6.999 1.00 44.31 C ATOM 94 CE LYS A 6 10.822 3.035 -7.912 1.00 63.40 C ATOM 95 NZ LYS A 6 10.171 3.222 -9.238 1.00 45.32 N ATOM 0 H LYS A 6 7.697 5.038 -3.715 1.00 70.52 H new ATOM 0 HA LYS A 6 10.404 5.925 -3.374 1.00 71.44 H new ATOM 0 HB2 LYS A 6 10.933 3.986 -4.487 1.00 62.14 H new ATOM 0 HB3 LYS A 6 9.323 3.557 -3.943 1.00 62.14 H new ATOM 0 HG2 LYS A 6 9.095 2.969 -6.140 1.00 40.23 H new ATOM 0 HG3 LYS A 6 8.624 4.650 -6.285 1.00 40.23 H new ATOM 0 HD2 LYS A 6 10.395 5.116 -7.601 1.00 44.31 H new ATOM 0 HD3 LYS A 6 11.515 4.434 -6.438 1.00 44.31 H new ATOM 0 HE2 LYS A 6 11.891 2.876 -8.052 1.00 63.40 H new ATOM 0 HE3 LYS A 6 10.426 2.138 -7.436 1.00 63.40 H new ATOM 0 HZ1 LYS A 6 10.344 2.385 -9.831 1.00 45.32 H new ATOM 0 HZ2 LYS A 6 9.147 3.348 -9.107 1.00 45.32 H new ATOM 0 HZ3 LYS A 6 10.567 4.063 -9.704 1.00 45.32 H new ATOM 109 N GLU A 7 8.675 6.997 -5.906 1.00 32.43 N ATOM 110 CA GLU A 7 8.681 7.910 -7.042 1.00 51.30 C ATOM 111 C GLU A 7 8.714 9.362 -6.573 1.00 34.03 C ATOM 112 O GLU A 7 9.163 10.250 -7.298 1.00 35.21 O ATOM 113 CB GLU A 7 7.451 7.675 -7.921 1.00 33.41 C ATOM 114 CG GLU A 7 7.206 6.211 -8.245 1.00 71.53 C ATOM 115 CD GLU A 7 6.516 6.017 -9.582 1.00 22.43 C ATOM 116 OE1 GLU A 7 5.282 6.199 -9.644 1.00 21.24 O ATOM 117 OE2 GLU A 7 7.210 5.683 -10.565 1.00 35.50 O ATOM 0 H GLU A 7 7.748 6.674 -5.629 1.00 32.43 H new ATOM 0 HA GLU A 7 9.580 7.714 -7.627 1.00 51.30 H new ATOM 0 HB2 GLU A 7 6.573 8.079 -7.418 1.00 33.41 H new ATOM 0 HB3 GLU A 7 7.569 8.230 -8.852 1.00 33.41 H new ATOM 0 HG2 GLU A 7 8.158 5.680 -8.251 1.00 71.53 H new ATOM 0 HG3 GLU A 7 6.597 5.765 -7.458 1.00 71.53 H new ATOM 124 N ARG A 8 8.234 9.595 -5.355 1.00 43.03 N ATOM 125 CA ARG A 8 8.207 10.938 -4.789 1.00 52.33 C ATOM 126 C ARG A 8 9.618 11.504 -4.662 1.00 64.31 C ATOM 127 O ARG A 8 9.829 12.711 -4.784 1.00 63.11 O ATOM 128 CB ARG A 8 7.526 10.924 -3.419 1.00 65.42 C ATOM 129 CG ARG A 8 7.279 12.310 -2.847 1.00 73.13 C ATOM 130 CD ARG A 8 7.334 12.304 -1.328 1.00 21.34 C ATOM 131 NE ARG A 8 6.001 12.300 -0.731 1.00 60.33 N ATOM 132 CZ ARG A 8 5.215 13.370 -0.680 1.00 64.45 C ATOM 133 NH1 ARG A 8 5.627 14.523 -1.188 1.00 42.22 N ATOM 134 NH2 ARG A 8 4.015 13.287 -0.121 1.00 71.13 N ATOM 0 H ARG A 8 7.859 8.871 -4.742 1.00 43.03 H new ATOM 0 HA ARG A 8 7.638 11.577 -5.464 1.00 52.33 H new ATOM 0 HB2 ARG A 8 6.574 10.399 -3.501 1.00 65.42 H new ATOM 0 HB3 ARG A 8 8.143 10.357 -2.722 1.00 65.42 H new ATOM 0 HG2 ARG A 8 8.024 13.003 -3.236 1.00 73.13 H new ATOM 0 HG3 ARG A 8 6.305 12.672 -3.175 1.00 73.13 H new ATOM 0 HD2 ARG A 8 7.885 11.427 -0.989 1.00 21.34 H new ATOM 0 HD3 ARG A 8 7.883 13.180 -0.982 1.00 21.34 H new ATOM 0 HE ARG A 8 5.654 11.428 -0.331 1.00 60.33 H new ATOM 0 HH11 ARG A 8 6.549 14.590 -1.619 1.00 42.22 H new ATOM 0 HH12 ARG A 8 5.022 15.343 -1.148 1.00 42.22 H new ATOM 0 HH21 ARG A 8 3.695 12.401 0.270 1.00 71.13 H new ATOM 0 HH22 ARG A 8 3.412 14.109 -0.082 1.00 71.13 H new ATOM 148 N THR A 9 10.583 10.623 -4.415 1.00 63.04 N ATOM 149 CA THR A 9 11.974 11.034 -4.270 1.00 30.41 C ATOM 150 C THR A 9 12.643 11.202 -5.629 1.00 72.43 C ATOM 151 O THR A 9 13.588 11.977 -5.775 1.00 4.04 O ATOM 152 CB THR A 9 12.776 10.015 -3.438 1.00 43.30 C ATOM 153 OG1 THR A 9 14.152 10.409 -3.376 1.00 32.30 O ATOM 154 CG2 THR A 9 12.669 8.622 -4.038 1.00 72.33 C ATOM 0 H THR A 9 10.426 9.620 -4.311 1.00 63.04 H new ATOM 0 HA THR A 9 11.968 11.992 -3.751 1.00 30.41 H new ATOM 0 HB THR A 9 12.359 9.992 -2.431 1.00 43.30 H new ATOM 0 HG1 THR A 9 14.243 11.331 -3.694 1.00 32.30 H new ATOM 0 HG21 THR A 9 13.243 7.920 -3.433 1.00 72.33 H new ATOM 0 HG22 THR A 9 11.624 8.313 -4.057 1.00 72.33 H new ATOM 0 HG23 THR A 9 13.063 8.632 -5.054 1.00 72.33 H new ATOM 162 N ILE A 10 12.146 10.472 -6.622 1.00 61.51 N ATOM 163 CA ILE A 10 12.695 10.542 -7.970 1.00 64.14 C ATOM 164 C ILE A 10 12.780 11.985 -8.455 1.00 54.31 C ATOM 165 O ILE A 10 13.812 12.422 -8.964 1.00 40.02 O ATOM 166 CB ILE A 10 11.850 9.726 -8.966 1.00 53.32 C ATOM 167 CG1 ILE A 10 11.995 8.229 -8.686 1.00 11.22 C ATOM 168 CG2 ILE A 10 12.261 10.045 -10.396 1.00 12.42 C ATOM 169 CD1 ILE A 10 13.404 7.713 -8.876 1.00 30.23 C ATOM 0 H ILE A 10 11.364 9.825 -6.518 1.00 61.51 H new ATOM 0 HA ILE A 10 13.698 10.117 -7.924 1.00 64.14 H new ATOM 0 HB ILE A 10 10.803 10.000 -8.840 1.00 53.32 H new ATOM 0 HG12 ILE A 10 11.677 8.026 -7.663 1.00 11.22 H new ATOM 0 HG13 ILE A 10 11.323 7.678 -9.344 1.00 11.22 H new ATOM 0 HG21 ILE A 10 11.655 9.460 -11.088 1.00 12.42 H new ATOM 0 HG22 ILE A 10 12.110 11.107 -10.590 1.00 12.42 H new ATOM 0 HG23 ILE A 10 13.313 9.796 -10.536 1.00 12.42 H new ATOM 0 HD11 ILE A 10 13.432 6.645 -8.660 1.00 30.23 H new ATOM 0 HD12 ILE A 10 13.718 7.884 -9.906 1.00 30.23 H new ATOM 0 HD13 ILE A 10 14.078 8.238 -8.199 1.00 30.23 H new ATOM 181 N LYS A 11 11.687 12.723 -8.292 1.00 74.00 N ATOM 182 CA LYS A 11 11.636 14.119 -8.709 1.00 51.15 C ATOM 183 C LYS A 11 12.702 14.941 -7.992 1.00 62.40 C ATOM 184 O LYS A 11 13.355 15.791 -8.598 1.00 25.25 O ATOM 185 CB LYS A 11 10.251 14.706 -8.430 1.00 14.41 C ATOM 186 CG LYS A 11 9.109 13.817 -8.889 1.00 73.34 C ATOM 187 CD LYS A 11 7.765 14.508 -8.731 1.00 33.32 C ATOM 188 CE LYS A 11 6.639 13.502 -8.545 1.00 22.33 C ATOM 189 NZ LYS A 11 5.374 13.961 -9.182 1.00 60.31 N ATOM 0 H LYS A 11 10.824 12.377 -7.873 1.00 74.00 H new ATOM 0 HA LYS A 11 11.832 14.159 -9.781 1.00 51.15 H new ATOM 0 HB2 LYS A 11 10.151 14.887 -7.360 1.00 14.41 H new ATOM 0 HB3 LYS A 11 10.169 15.673 -8.926 1.00 14.41 H new ATOM 0 HG2 LYS A 11 9.257 13.543 -9.933 1.00 73.34 H new ATOM 0 HG3 LYS A 11 9.113 12.892 -8.313 1.00 73.34 H new ATOM 0 HD2 LYS A 11 7.799 15.180 -7.874 1.00 33.32 H new ATOM 0 HD3 LYS A 11 7.565 15.122 -9.609 1.00 33.32 H new ATOM 0 HE2 LYS A 11 6.934 12.544 -8.973 1.00 22.33 H new ATOM 0 HE3 LYS A 11 6.471 13.338 -7.481 1.00 22.33 H new ATOM 0 HZ1 LYS A 11 4.632 13.248 -9.033 1.00 60.31 H new ATOM 0 HZ2 LYS A 11 5.078 14.863 -8.757 1.00 60.31 H new ATOM 0 HZ3 LYS A 11 5.527 14.093 -10.202 1.00 60.31 H new ATOM 203 N ILE A 12 12.874 14.680 -6.700 1.00 53.14 N ATOM 204 CA ILE A 12 13.863 15.394 -5.902 1.00 73.04 C ATOM 205 C ILE A 12 15.279 15.069 -6.364 1.00 5.24 C ATOM 206 O ILE A 12 16.045 15.961 -6.728 1.00 73.21 O ATOM 207 CB ILE A 12 13.731 15.053 -4.406 1.00 42.23 C ATOM 208 CG1 ILE A 12 12.330 15.406 -3.902 1.00 5.13 C ATOM 209 CG2 ILE A 12 14.791 15.789 -3.600 1.00 64.23 C ATOM 210 CD1 ILE A 12 12.115 15.081 -2.440 1.00 41.41 C ATOM 0 H ILE A 12 12.341 13.980 -6.184 1.00 53.14 H new ATOM 0 HA ILE A 12 13.673 16.458 -6.041 1.00 73.04 H new ATOM 0 HB ILE A 12 13.884 13.981 -4.277 1.00 42.23 H new ATOM 0 HG12 ILE A 12 12.153 16.470 -4.059 1.00 5.13 H new ATOM 0 HG13 ILE A 12 11.592 14.869 -4.498 1.00 5.13 H new ATOM 0 HG21 ILE A 12 14.685 15.538 -2.545 1.00 64.23 H new ATOM 0 HG22 ILE A 12 15.782 15.493 -3.946 1.00 64.23 H new ATOM 0 HG23 ILE A 12 14.667 16.864 -3.732 1.00 64.23 H new ATOM 0 HD11 ILE A 12 11.101 15.357 -2.151 1.00 41.41 H new ATOM 0 HD12 ILE A 12 12.260 14.013 -2.280 1.00 41.41 H new ATOM 0 HD13 ILE A 12 12.829 15.639 -1.834 1.00 41.41 H new ATOM 222 N GLY A 13 15.622 13.784 -6.347 1.00 12.44 N ATOM 223 CA GLY A 13 16.946 13.364 -6.767 1.00 33.12 C ATOM 224 C GLY A 13 17.290 13.842 -8.164 1.00 34.34 C ATOM 225 O GLY A 13 18.455 14.087 -8.475 1.00 23.10 O ATOM 0 H GLY A 13 15.006 13.027 -6.050 1.00 12.44 H new ATOM 0 HA2 GLY A 13 17.685 13.746 -6.063 1.00 33.12 H new ATOM 0 HA3 GLY A 13 17.006 12.276 -6.733 1.00 33.12 H new ATOM 229 N LYS A 14 16.273 13.973 -9.009 1.00 42.32 N ATOM 230 CA LYS A 14 16.472 14.424 -10.381 1.00 43.44 C ATOM 231 C LYS A 14 16.466 15.948 -10.460 1.00 21.33 C ATOM 232 O LYS A 14 17.032 16.534 -11.383 1.00 23.23 O ATOM 233 CB LYS A 14 15.383 13.852 -11.291 1.00 61.13 C ATOM 234 CG LYS A 14 15.392 12.335 -11.371 1.00 45.22 C ATOM 235 CD LYS A 14 15.983 11.850 -12.684 1.00 71.44 C ATOM 236 CE LYS A 14 15.569 10.417 -12.986 1.00 10.41 C ATOM 237 NZ LYS A 14 14.596 10.346 -14.111 1.00 11.41 N ATOM 0 H LYS A 14 15.302 13.773 -8.768 1.00 42.32 H new ATOM 0 HA LYS A 14 17.444 14.064 -10.717 1.00 43.44 H new ATOM 0 HB2 LYS A 14 14.409 14.183 -10.930 1.00 61.13 H new ATOM 0 HB3 LYS A 14 15.507 14.261 -12.294 1.00 61.13 H new ATOM 0 HG2 LYS A 14 15.968 11.929 -10.540 1.00 45.22 H new ATOM 0 HG3 LYS A 14 14.374 11.958 -11.268 1.00 45.22 H new ATOM 0 HD2 LYS A 14 15.657 12.502 -13.494 1.00 71.44 H new ATOM 0 HD3 LYS A 14 17.070 11.914 -12.641 1.00 71.44 H new ATOM 0 HE2 LYS A 14 16.452 9.828 -13.232 1.00 10.41 H new ATOM 0 HE3 LYS A 14 15.127 9.971 -12.095 1.00 10.41 H new ATOM 0 HZ1 LYS A 14 14.339 9.353 -14.286 1.00 11.41 H new ATOM 0 HZ2 LYS A 14 13.742 10.887 -13.866 1.00 11.41 H new ATOM 0 HZ3 LYS A 14 15.026 10.748 -14.968 1.00 11.41 H new ATOM 251 N TYR A 15 15.824 16.583 -9.486 1.00 21.14 N ATOM 252 CA TYR A 15 15.744 18.038 -9.445 1.00 51.21 C ATOM 253 C TYR A 15 17.018 18.638 -8.858 1.00 32.13 C ATOM 254 O TYR A 15 17.528 19.644 -9.351 1.00 11.31 O ATOM 255 CB TYR A 15 14.532 18.480 -8.623 1.00 4.43 C ATOM 256 CG TYR A 15 14.306 19.975 -8.634 1.00 2.44 C ATOM 257 CD1 TYR A 15 14.990 20.808 -7.756 1.00 21.53 C ATOM 258 CD2 TYR A 15 13.408 20.556 -9.521 1.00 22.32 C ATOM 259 CE1 TYR A 15 14.786 22.174 -7.762 1.00 23.15 C ATOM 260 CE2 TYR A 15 13.199 21.921 -9.535 1.00 2.13 C ATOM 261 CZ TYR A 15 13.890 22.726 -8.653 1.00 63.11 C ATOM 262 OH TYR A 15 13.684 24.086 -8.663 1.00 12.42 O ATOM 0 H TYR A 15 15.351 16.113 -8.714 1.00 21.14 H new ATOM 0 HA TYR A 15 15.632 18.399 -10.467 1.00 51.21 H new ATOM 0 HB2 TYR A 15 13.641 17.983 -9.008 1.00 4.43 H new ATOM 0 HB3 TYR A 15 14.661 18.148 -7.593 1.00 4.43 H new ATOM 0 HD1 TYR A 15 15.693 20.380 -7.057 1.00 21.53 H new ATOM 0 HD2 TYR A 15 12.864 19.929 -10.212 1.00 22.32 H new ATOM 0 HE1 TYR A 15 15.325 22.806 -7.072 1.00 23.15 H new ATOM 0 HE2 TYR A 15 12.499 22.356 -10.233 1.00 2.13 H new ATOM 0 HH TYR A 15 12.730 24.271 -8.791 1.00 12.42 H new ATOM 272 N ILE A 16 17.526 18.012 -7.802 1.00 22.23 N ATOM 273 CA ILE A 16 18.741 18.482 -7.148 1.00 21.45 C ATOM 274 C ILE A 16 19.865 18.687 -8.157 1.00 51.25 C ATOM 275 O ILE A 16 20.673 19.607 -8.025 1.00 75.03 O ATOM 276 CB ILE A 16 19.214 17.495 -6.064 1.00 3.13 C ATOM 277 CG1 ILE A 16 19.727 16.205 -6.706 1.00 72.44 C ATOM 278 CG2 ILE A 16 18.084 17.196 -5.090 1.00 62.20 C ATOM 279 CD1 ILE A 16 21.211 16.223 -6.999 1.00 32.15 C ATOM 0 H ILE A 16 17.115 17.179 -7.381 1.00 22.23 H new ATOM 0 HA ILE A 16 18.498 19.436 -6.680 1.00 21.45 H new ATOM 0 HB ILE A 16 20.033 17.953 -5.510 1.00 3.13 H new ATOM 0 HG12 ILE A 16 19.506 15.367 -6.045 1.00 72.44 H new ATOM 0 HG13 ILE A 16 19.184 16.030 -7.635 1.00 72.44 H new ATOM 0 HG21 ILE A 16 18.434 16.497 -4.330 1.00 62.20 H new ATOM 0 HG22 ILE A 16 17.762 18.121 -4.612 1.00 62.20 H new ATOM 0 HG23 ILE A 16 17.246 16.755 -5.630 1.00 62.20 H new ATOM 0 HD11 ILE A 16 21.504 15.276 -7.453 1.00 32.15 H new ATOM 0 HD12 ILE A 16 21.437 17.040 -7.685 1.00 32.15 H new ATOM 0 HD13 ILE A 16 21.764 16.366 -6.070 1.00 32.15 H new ATOM 291 N VAL A 17 19.910 17.825 -9.168 1.00 51.24 N ATOM 292 CA VAL A 17 20.933 17.914 -10.204 1.00 32.44 C ATOM 293 C VAL A 17 20.512 18.873 -11.311 1.00 44.11 C ATOM 294 O VAL A 17 21.354 19.490 -11.964 1.00 30.35 O ATOM 295 CB VAL A 17 21.228 16.533 -10.820 1.00 3.31 C ATOM 296 CG1 VAL A 17 20.028 16.033 -11.609 1.00 20.41 C ATOM 297 CG2 VAL A 17 22.467 16.598 -11.701 1.00 73.21 C ATOM 0 H VAL A 17 19.250 17.057 -9.292 1.00 51.24 H new ATOM 0 HA VAL A 17 21.837 18.291 -9.726 1.00 32.44 H new ATOM 0 HB VAL A 17 21.420 15.827 -10.012 1.00 3.31 H new ATOM 0 HG11 VAL A 17 20.255 15.056 -12.037 1.00 20.41 H new ATOM 0 HG12 VAL A 17 19.167 15.948 -10.946 1.00 20.41 H new ATOM 0 HG13 VAL A 17 19.801 16.736 -12.410 1.00 20.41 H new ATOM 0 HG21 VAL A 17 22.662 15.614 -12.128 1.00 73.21 H new ATOM 0 HG22 VAL A 17 22.305 17.317 -12.504 1.00 73.21 H new ATOM 0 HG23 VAL A 17 23.323 16.909 -11.102 1.00 73.21 H new ATOM 307 N GLU A 18 19.205 18.994 -11.517 1.00 14.20 N ATOM 308 CA GLU A 18 18.673 19.879 -12.547 1.00 12.13 C ATOM 309 C GLU A 18 18.926 21.341 -12.191 1.00 53.41 C ATOM 310 O GLU A 18 19.141 22.178 -13.069 1.00 24.03 O ATOM 311 CB GLU A 18 17.173 19.640 -12.731 1.00 71.33 C ATOM 312 CG GLU A 18 16.786 19.273 -14.154 1.00 34.30 C ATOM 313 CD GLU A 18 15.310 18.954 -14.293 1.00 73.20 C ATOM 314 OE1 GLU A 18 14.534 19.326 -13.388 1.00 72.02 O ATOM 315 OE2 GLU A 18 14.931 18.332 -15.308 1.00 32.34 O ATOM 0 H GLU A 18 18.495 18.491 -10.985 1.00 14.20 H new ATOM 0 HA GLU A 18 19.187 19.656 -13.482 1.00 12.13 H new ATOM 0 HB2 GLU A 18 16.856 18.842 -12.060 1.00 71.33 H new ATOM 0 HB3 GLU A 18 16.631 20.539 -12.436 1.00 71.33 H new ATOM 0 HG2 GLU A 18 17.040 20.098 -14.820 1.00 34.30 H new ATOM 0 HG3 GLU A 18 17.372 18.412 -14.475 1.00 34.30 H new ATOM 322 N THR A 19 18.897 21.643 -10.897 1.00 0.14 N ATOM 323 CA THR A 19 19.121 23.003 -10.424 1.00 10.33 C ATOM 324 C THR A 19 20.458 23.121 -9.701 1.00 41.02 C ATOM 325 O THR A 19 20.998 24.217 -9.547 1.00 64.44 O ATOM 326 CB THR A 19 17.996 23.461 -9.476 1.00 62.00 C ATOM 327 OG1 THR A 19 17.999 22.660 -8.289 1.00 64.11 O ATOM 328 CG2 THR A 19 16.640 23.361 -10.158 1.00 20.12 C ATOM 0 H THR A 19 18.720 20.963 -10.157 1.00 0.14 H new ATOM 0 HA THR A 19 19.129 23.646 -11.304 1.00 10.33 H new ATOM 0 HB THR A 19 18.176 24.503 -9.211 1.00 62.00 H new ATOM 0 HG1 THR A 19 17.077 22.438 -8.042 1.00 64.11 H new ATOM 0 HG21 THR A 19 15.861 23.690 -9.470 1.00 20.12 H new ATOM 0 HG22 THR A 19 16.631 23.995 -11.045 1.00 20.12 H new ATOM 0 HG23 THR A 19 16.454 22.327 -10.449 1.00 20.12 H new ATOM 336 N LYS A 20 20.989 21.986 -9.259 1.00 75.34 N ATOM 337 CA LYS A 20 22.264 21.960 -8.554 1.00 44.22 C ATOM 338 C LYS A 20 22.177 22.735 -7.243 1.00 70.21 C ATOM 339 O LYS A 20 23.176 23.264 -6.755 1.00 15.32 O ATOM 340 CB LYS A 20 23.369 22.550 -9.434 1.00 71.44 C ATOM 341 CG LYS A 20 23.409 21.963 -10.835 1.00 14.21 C ATOM 342 CD LYS A 20 23.817 20.500 -10.815 1.00 71.33 C ATOM 343 CE LYS A 20 25.233 20.323 -10.289 1.00 11.11 C ATOM 344 NZ LYS A 20 26.115 19.652 -11.283 1.00 73.44 N ATOM 0 H LYS A 20 20.555 21.071 -9.377 1.00 75.34 H new ATOM 0 HA LYS A 20 22.504 20.921 -8.327 1.00 44.22 H new ATOM 0 HB2 LYS A 20 23.229 23.629 -9.505 1.00 71.44 H new ATOM 0 HB3 LYS A 20 24.333 22.385 -8.952 1.00 71.44 H new ATOM 0 HG2 LYS A 20 22.428 22.062 -11.300 1.00 14.21 H new ATOM 0 HG3 LYS A 20 24.111 22.529 -11.448 1.00 14.21 H new ATOM 0 HD2 LYS A 20 23.123 19.936 -10.191 1.00 71.33 H new ATOM 0 HD3 LYS A 20 23.748 20.088 -11.822 1.00 71.33 H new ATOM 0 HE2 LYS A 20 25.650 21.297 -10.033 1.00 11.11 H new ATOM 0 HE3 LYS A 20 25.208 19.736 -9.371 1.00 11.11 H new ATOM 0 HZ1 LYS A 20 27.071 19.550 -10.886 1.00 73.44 H new ATOM 0 HZ2 LYS A 20 25.732 18.712 -11.508 1.00 73.44 H new ATOM 0 HZ3 LYS A 20 26.159 20.225 -12.150 1.00 73.44 H new ATOM 358 N LYS A 21 20.977 22.796 -6.676 1.00 52.13 N ATOM 359 CA LYS A 21 20.759 23.503 -5.420 1.00 54.20 C ATOM 360 C LYS A 21 20.932 22.565 -4.230 1.00 61.32 C ATOM 361 O LYS A 21 21.310 21.404 -4.391 1.00 74.43 O ATOM 362 CB LYS A 21 19.359 24.122 -5.396 1.00 31.45 C ATOM 363 CG LYS A 21 19.362 25.637 -5.496 1.00 12.25 C ATOM 364 CD LYS A 21 18.617 26.116 -6.730 1.00 51.03 C ATOM 365 CE LYS A 21 17.157 25.689 -6.701 1.00 63.13 C ATOM 366 NZ LYS A 21 16.237 26.860 -6.674 1.00 63.51 N ATOM 0 H LYS A 21 20.140 22.364 -7.067 1.00 52.13 H new ATOM 0 HA LYS A 21 21.502 24.297 -5.345 1.00 54.20 H new ATOM 0 HB2 LYS A 21 18.776 23.713 -6.221 1.00 31.45 H new ATOM 0 HB3 LYS A 21 18.857 23.828 -4.474 1.00 31.45 H new ATOM 0 HG2 LYS A 21 18.902 26.062 -4.604 1.00 12.25 H new ATOM 0 HG3 LYS A 21 20.390 25.998 -5.527 1.00 12.25 H new ATOM 0 HD2 LYS A 21 18.678 27.202 -6.794 1.00 51.03 H new ATOM 0 HD3 LYS A 21 19.096 25.716 -7.624 1.00 51.03 H new ATOM 0 HE2 LYS A 21 16.940 25.077 -7.576 1.00 63.13 H new ATOM 0 HE3 LYS A 21 16.978 25.066 -5.824 1.00 63.13 H new ATOM 0 HZ1 LYS A 21 15.373 26.611 -6.152 1.00 63.51 H new ATOM 0 HZ2 LYS A 21 16.707 27.660 -6.204 1.00 63.51 H new ATOM 0 HZ3 LYS A 21 15.988 27.128 -7.647 1.00 63.51 H new ATOM 380 N THR A 22 20.653 23.074 -3.034 1.00 54.34 N ATOM 381 CA THR A 22 20.777 22.282 -1.818 1.00 23.23 C ATOM 382 C THR A 22 19.430 21.707 -1.395 1.00 41.32 C ATOM 383 O THR A 22 18.378 22.203 -1.799 1.00 41.21 O ATOM 384 CB THR A 22 21.352 23.118 -0.659 1.00 2.10 C ATOM 385 OG1 THR A 22 20.357 24.022 -0.167 1.00 0.52 O ATOM 386 CG2 THR A 22 22.576 23.900 -1.111 1.00 41.12 C ATOM 0 H THR A 22 20.339 24.033 -2.882 1.00 54.34 H new ATOM 0 HA THR A 22 21.463 21.465 -2.043 1.00 23.23 H new ATOM 0 HB THR A 22 21.650 22.437 0.138 1.00 2.10 H new ATOM 0 HG1 THR A 22 20.730 24.549 0.571 1.00 0.52 H new ATOM 0 HG21 THR A 22 22.964 24.483 -0.276 1.00 41.12 H new ATOM 0 HG22 THR A 22 23.343 23.207 -1.458 1.00 41.12 H new ATOM 0 HG23 THR A 22 22.299 24.571 -1.924 1.00 41.12 H new ATOM 394 N VAL A 23 19.469 20.659 -0.579 1.00 33.20 N ATOM 395 CA VAL A 23 18.250 20.018 -0.100 1.00 20.32 C ATOM 396 C VAL A 23 17.293 21.039 0.506 1.00 64.24 C ATOM 397 O VAL A 23 16.077 20.852 0.487 1.00 73.11 O ATOM 398 CB VAL A 23 18.561 18.936 0.951 1.00 21.33 C ATOM 399 CG1 VAL A 23 19.112 17.685 0.284 1.00 72.15 C ATOM 400 CG2 VAL A 23 19.536 19.468 1.991 1.00 53.00 C ATOM 0 H VAL A 23 20.331 20.236 -0.236 1.00 33.20 H new ATOM 0 HA VAL A 23 17.778 19.550 -0.964 1.00 20.32 H new ATOM 0 HB VAL A 23 17.633 18.670 1.458 1.00 21.33 H new ATOM 0 HG11 VAL A 23 19.326 16.932 1.043 1.00 72.15 H new ATOM 0 HG12 VAL A 23 18.377 17.293 -0.419 1.00 72.15 H new ATOM 0 HG13 VAL A 23 20.029 17.932 -0.251 1.00 72.15 H new ATOM 0 HG21 VAL A 23 19.744 18.690 2.726 1.00 53.00 H new ATOM 0 HG22 VAL A 23 20.464 19.763 1.502 1.00 53.00 H new ATOM 0 HG23 VAL A 23 19.099 20.332 2.491 1.00 53.00 H new ATOM 410 N ARG A 24 17.852 22.119 1.042 1.00 53.12 N ATOM 411 CA ARG A 24 17.048 23.170 1.654 1.00 41.42 C ATOM 412 C ARG A 24 16.214 23.898 0.604 1.00 41.34 C ATOM 413 O ARG A 24 15.075 24.288 0.861 1.00 41.11 O ATOM 414 CB ARG A 24 17.947 24.167 2.387 1.00 3.42 C ATOM 415 CG ARG A 24 17.183 25.145 3.265 1.00 24.13 C ATOM 416 CD ARG A 24 17.283 26.566 2.734 1.00 3.31 C ATOM 417 NE ARG A 24 18.350 27.321 3.387 1.00 34.10 N ATOM 418 CZ ARG A 24 18.512 28.632 3.249 1.00 5.15 C ATOM 419 NH1 ARG A 24 17.682 29.330 2.487 1.00 44.12 N ATOM 420 NH2 ARG A 24 19.507 29.248 3.876 1.00 20.30 N ATOM 0 H ARG A 24 18.857 22.289 1.065 1.00 53.12 H new ATOM 0 HA ARG A 24 16.372 22.704 2.371 1.00 41.42 H new ATOM 0 HB2 ARG A 24 18.658 23.617 3.004 1.00 3.42 H new ATOM 0 HB3 ARG A 24 18.528 24.727 1.654 1.00 3.42 H new ATOM 0 HG2 ARG A 24 16.136 24.848 3.317 1.00 24.13 H new ATOM 0 HG3 ARG A 24 17.576 25.107 4.281 1.00 24.13 H new ATOM 0 HD2 ARG A 24 17.463 26.539 1.659 1.00 3.31 H new ATOM 0 HD3 ARG A 24 16.332 27.077 2.885 1.00 3.31 H new ATOM 0 HE ARG A 24 19.006 26.814 3.981 1.00 34.10 H new ATOM 0 HH11 ARG A 24 16.916 28.860 2.004 1.00 44.12 H new ATOM 0 HH12 ARG A 24 17.809 30.337 2.383 1.00 44.12 H new ATOM 0 HH21 ARG A 24 20.147 28.714 4.464 1.00 20.30 H new ATOM 0 HH22 ARG A 24 19.631 30.255 3.770 1.00 20.30 H new ATOM 434 N VAL A 25 16.790 24.079 -0.581 1.00 32.40 N ATOM 435 CA VAL A 25 16.100 24.759 -1.671 1.00 0.05 C ATOM 436 C VAL A 25 15.239 23.786 -2.469 1.00 5.13 C ATOM 437 O VAL A 25 14.230 24.174 -3.057 1.00 72.14 O ATOM 438 CB VAL A 25 17.096 25.447 -2.623 1.00 23.40 C ATOM 439 CG1 VAL A 25 16.360 26.323 -3.624 1.00 53.14 C ATOM 440 CG2 VAL A 25 18.111 26.261 -1.835 1.00 21.44 C ATOM 0 H VAL A 25 17.733 23.764 -0.810 1.00 32.40 H new ATOM 0 HA VAL A 25 15.461 25.516 -1.217 1.00 0.05 H new ATOM 0 HB VAL A 25 17.633 24.677 -3.177 1.00 23.40 H new ATOM 0 HG11 VAL A 25 17.080 26.801 -4.288 1.00 53.14 H new ATOM 0 HG12 VAL A 25 15.677 25.709 -4.211 1.00 53.14 H new ATOM 0 HG13 VAL A 25 15.795 27.088 -3.092 1.00 53.14 H new ATOM 0 HG21 VAL A 25 18.807 26.740 -2.524 1.00 21.44 H new ATOM 0 HG22 VAL A 25 17.593 27.024 -1.253 1.00 21.44 H new ATOM 0 HG23 VAL A 25 18.661 25.603 -1.162 1.00 21.44 H new ATOM 450 N ILE A 26 15.645 22.521 -2.484 1.00 4.02 N ATOM 451 CA ILE A 26 14.910 21.492 -3.209 1.00 3.04 C ATOM 452 C ILE A 26 13.708 21.007 -2.406 1.00 55.42 C ATOM 453 O ILE A 26 12.689 20.613 -2.973 1.00 31.33 O ATOM 454 CB ILE A 26 15.810 20.287 -3.542 1.00 53.23 C ATOM 455 CG1 ILE A 26 16.964 20.720 -4.449 1.00 12.22 C ATOM 456 CG2 ILE A 26 14.995 19.185 -4.203 1.00 21.03 C ATOM 457 CD1 ILE A 26 18.322 20.279 -3.950 1.00 1.41 C ATOM 0 H ILE A 26 16.479 22.184 -2.003 1.00 4.02 H new ATOM 0 HA ILE A 26 14.565 21.946 -4.138 1.00 3.04 H new ATOM 0 HB ILE A 26 16.228 19.897 -2.614 1.00 53.23 H new ATOM 0 HG12 ILE A 26 16.803 20.313 -5.447 1.00 12.22 H new ATOM 0 HG13 ILE A 26 16.955 21.806 -4.542 1.00 12.22 H new ATOM 0 HG21 ILE A 26 15.644 18.340 -4.433 1.00 21.03 H new ATOM 0 HG22 ILE A 26 14.204 18.862 -3.526 1.00 21.03 H new ATOM 0 HG23 ILE A 26 14.552 19.563 -5.124 1.00 21.03 H new ATOM 0 HD11 ILE A 26 19.092 20.620 -4.642 1.00 1.41 H new ATOM 0 HD12 ILE A 26 18.504 20.707 -2.964 1.00 1.41 H new ATOM 0 HD13 ILE A 26 18.350 19.191 -3.884 1.00 1.41 H new ATOM 469 N ALA A 27 13.833 21.042 -1.084 1.00 33.15 N ATOM 470 CA ALA A 27 12.755 20.610 -0.203 1.00 34.03 C ATOM 471 C ALA A 27 11.612 21.619 -0.198 1.00 53.42 C ATOM 472 O ALA A 27 10.452 21.261 -0.406 1.00 42.34 O ATOM 473 CB ALA A 27 13.280 20.398 1.210 1.00 51.15 C ATOM 0 H ALA A 27 14.670 21.365 -0.599 1.00 33.15 H new ATOM 0 HA ALA A 27 12.368 19.664 -0.581 1.00 34.03 H new ATOM 0 HB1 ALA A 27 12.464 20.076 1.857 1.00 51.15 H new ATOM 0 HB2 ALA A 27 14.057 19.634 1.199 1.00 51.15 H new ATOM 0 HB3 ALA A 27 13.695 21.332 1.588 1.00 51.15 H new ATOM 479 N LYS A 28 11.945 22.883 0.041 1.00 4.03 N ATOM 480 CA LYS A 28 10.948 23.946 0.073 1.00 75.32 C ATOM 481 C LYS A 28 10.086 23.921 -1.186 1.00 23.21 C ATOM 482 O LYS A 28 8.915 24.296 -1.154 1.00 50.32 O ATOM 483 CB LYS A 28 11.629 25.309 0.211 1.00 53.13 C ATOM 484 CG LYS A 28 12.691 25.568 -0.844 1.00 33.21 C ATOM 485 CD LYS A 28 12.091 26.168 -2.104 1.00 75.34 C ATOM 486 CE LYS A 28 12.432 27.644 -2.236 1.00 54.10 C ATOM 487 NZ LYS A 28 12.182 28.150 -3.614 1.00 51.31 N ATOM 0 H LYS A 28 12.900 23.196 0.216 1.00 4.03 H new ATOM 0 HA LYS A 28 10.304 23.780 0.937 1.00 75.32 H new ATOM 0 HB2 LYS A 28 10.872 26.091 0.153 1.00 53.13 H new ATOM 0 HB3 LYS A 28 12.085 25.380 1.199 1.00 53.13 H new ATOM 0 HG2 LYS A 28 13.447 26.243 -0.443 1.00 33.21 H new ATOM 0 HG3 LYS A 28 13.196 24.634 -1.090 1.00 33.21 H new ATOM 0 HD2 LYS A 28 12.460 25.629 -2.976 1.00 75.34 H new ATOM 0 HD3 LYS A 28 11.008 26.044 -2.087 1.00 75.34 H new ATOM 0 HE2 LYS A 28 11.839 28.219 -1.525 1.00 54.10 H new ATOM 0 HE3 LYS A 28 13.479 27.799 -1.976 1.00 54.10 H new ATOM 0 HZ1 LYS A 28 12.427 29.160 -3.663 1.00 51.31 H new ATOM 0 HZ2 LYS A 28 12.767 27.619 -4.290 1.00 51.31 H new ATOM 0 HZ3 LYS A 28 11.177 28.025 -3.853 1.00 51.31 H new ATOM 501 N GLU A 29 10.675 23.475 -2.291 1.00 74.24 N ATOM 502 CA GLU A 29 9.959 23.401 -3.560 1.00 23.20 C ATOM 503 C GLU A 29 8.860 22.344 -3.504 1.00 14.33 C ATOM 504 O GLU A 29 7.779 22.527 -4.064 1.00 72.35 O ATOM 505 CB GLU A 29 10.929 23.083 -4.700 1.00 42.10 C ATOM 506 CG GLU A 29 11.770 24.272 -5.133 1.00 4.13 C ATOM 507 CD GLU A 29 11.667 24.550 -6.620 1.00 35.12 C ATOM 508 OE1 GLU A 29 11.436 23.592 -7.387 1.00 25.40 O ATOM 509 OE2 GLU A 29 11.815 25.725 -7.016 1.00 65.53 O ATOM 0 H GLU A 29 11.644 23.160 -2.334 1.00 74.24 H new ATOM 0 HA GLU A 29 9.497 24.371 -3.744 1.00 23.20 H new ATOM 0 HB2 GLU A 29 11.591 22.275 -4.388 1.00 42.10 H new ATOM 0 HB3 GLU A 29 10.362 22.718 -5.557 1.00 42.10 H new ATOM 0 HG2 GLU A 29 11.454 25.156 -4.579 1.00 4.13 H new ATOM 0 HG3 GLU A 29 12.813 24.089 -4.873 1.00 4.13 H new ATOM 516 N PHE A 30 9.144 21.239 -2.823 1.00 72.23 N ATOM 517 CA PHE A 30 8.181 20.151 -2.695 1.00 14.54 C ATOM 518 C PHE A 30 7.198 20.427 -1.560 1.00 22.31 C ATOM 519 O PHE A 30 6.085 19.904 -1.547 1.00 73.45 O ATOM 520 CB PHE A 30 8.905 18.827 -2.447 1.00 70.31 C ATOM 521 CG PHE A 30 9.493 18.224 -3.691 1.00 22.44 C ATOM 522 CD1 PHE A 30 10.466 18.898 -4.410 1.00 52.55 C ATOM 523 CD2 PHE A 30 9.073 16.982 -4.140 1.00 10.11 C ATOM 524 CE1 PHE A 30 11.009 18.346 -5.555 1.00 45.30 C ATOM 525 CE2 PHE A 30 9.613 16.425 -5.283 1.00 63.33 C ATOM 526 CZ PHE A 30 10.582 17.108 -5.992 1.00 52.15 C ATOM 0 H PHE A 30 10.033 21.073 -2.351 1.00 72.23 H new ATOM 0 HA PHE A 30 7.622 20.081 -3.628 1.00 14.54 H new ATOM 0 HB2 PHE A 30 9.701 18.988 -1.719 1.00 70.31 H new ATOM 0 HB3 PHE A 30 8.206 18.117 -2.004 1.00 70.31 H new ATOM 0 HD1 PHE A 30 10.804 19.866 -4.072 1.00 52.55 H new ATOM 0 HD2 PHE A 30 8.315 16.444 -3.590 1.00 10.11 H new ATOM 0 HE1 PHE A 30 11.766 18.883 -6.107 1.00 45.30 H new ATOM 0 HE2 PHE A 30 9.278 15.456 -5.622 1.00 63.33 H new ATOM 0 HZ PHE A 30 11.005 16.674 -6.886 1.00 52.15 H new ATOM 536 N GLY A 31 7.620 21.252 -0.607 1.00 2.14 N ATOM 537 CA GLY A 31 6.767 21.582 0.520 1.00 50.52 C ATOM 538 C GLY A 31 7.017 20.688 1.718 1.00 14.31 C ATOM 539 O GLY A 31 6.082 20.305 2.422 1.00 53.15 O ATOM 0 H GLY A 31 8.537 21.698 -0.595 1.00 2.14 H new ATOM 0 HA2 GLY A 31 6.933 22.621 0.805 1.00 50.52 H new ATOM 0 HA3 GLY A 31 5.723 21.497 0.219 1.00 50.52 H new ATOM 543 N VAL A 32 8.282 20.353 1.951 1.00 34.00 N ATOM 544 CA VAL A 32 8.652 19.498 3.072 1.00 33.52 C ATOM 545 C VAL A 32 9.935 19.985 3.735 1.00 65.32 C ATOM 546 O VAL A 32 10.635 20.845 3.199 1.00 32.44 O ATOM 547 CB VAL A 32 8.841 18.036 2.625 1.00 73.04 C ATOM 548 CG1 VAL A 32 7.497 17.394 2.317 1.00 73.43 C ATOM 549 CG2 VAL A 32 9.764 17.964 1.418 1.00 62.11 C ATOM 0 H VAL A 32 9.068 20.661 1.378 1.00 34.00 H new ATOM 0 HA VAL A 32 7.834 19.547 3.791 1.00 33.52 H new ATOM 0 HB VAL A 32 9.303 17.481 3.441 1.00 73.04 H new ATOM 0 HG11 VAL A 32 7.650 16.362 2.003 1.00 73.43 H new ATOM 0 HG12 VAL A 32 6.872 17.413 3.210 1.00 73.43 H new ATOM 0 HG13 VAL A 32 7.004 17.947 1.517 1.00 73.43 H new ATOM 0 HG21 VAL A 32 9.887 16.924 1.115 1.00 62.11 H new ATOM 0 HG22 VAL A 32 9.332 18.533 0.595 1.00 62.11 H new ATOM 0 HG23 VAL A 32 10.736 18.383 1.678 1.00 62.11 H new ATOM 559 N SER A 33 10.240 19.429 4.903 1.00 33.31 N ATOM 560 CA SER A 33 11.438 19.809 5.641 1.00 25.44 C ATOM 561 C SER A 33 12.645 19.001 5.172 1.00 74.04 C ATOM 562 O SER A 33 12.511 17.854 4.745 1.00 52.05 O ATOM 563 CB SER A 33 11.226 19.602 7.142 1.00 15.43 C ATOM 564 OG SER A 33 10.129 18.739 7.388 1.00 53.41 O ATOM 0 H SER A 33 9.673 18.713 5.359 1.00 33.31 H new ATOM 0 HA SER A 33 11.632 20.865 5.450 1.00 25.44 H new ATOM 0 HB2 SER A 33 12.129 19.183 7.586 1.00 15.43 H new ATOM 0 HB3 SER A 33 11.051 20.564 7.624 1.00 15.43 H new ATOM 0 HG SER A 33 10.016 18.621 8.354 1.00 53.41 H new ATOM 570 N LYS A 34 13.824 19.608 5.254 1.00 55.34 N ATOM 571 CA LYS A 34 15.055 18.948 4.839 1.00 65.21 C ATOM 572 C LYS A 34 15.199 17.589 5.516 1.00 31.24 C ATOM 573 O LYS A 34 15.628 16.617 4.895 1.00 72.24 O ATOM 574 CB LYS A 34 16.265 19.825 5.170 1.00 21.12 C ATOM 575 CG LYS A 34 16.188 21.219 4.571 1.00 22.52 C ATOM 576 CD LYS A 34 15.974 22.275 5.642 1.00 31.22 C ATOM 577 CE LYS A 34 14.925 23.292 5.220 1.00 34.21 C ATOM 578 NZ LYS A 34 15.123 24.605 5.893 1.00 13.24 N ATOM 0 H LYS A 34 13.952 20.557 5.605 1.00 55.34 H new ATOM 0 HA LYS A 34 15.009 18.794 3.761 1.00 65.21 H new ATOM 0 HB2 LYS A 34 16.357 19.909 6.253 1.00 21.12 H new ATOM 0 HB3 LYS A 34 17.169 19.333 4.810 1.00 21.12 H new ATOM 0 HG2 LYS A 34 17.107 21.433 4.026 1.00 22.52 H new ATOM 0 HG3 LYS A 34 15.372 21.261 3.849 1.00 22.52 H new ATOM 0 HD2 LYS A 34 15.665 21.795 6.571 1.00 31.22 H new ATOM 0 HD3 LYS A 34 16.916 22.785 5.845 1.00 31.22 H new ATOM 0 HE2 LYS A 34 14.965 23.428 4.139 1.00 34.21 H new ATOM 0 HE3 LYS A 34 13.932 22.909 5.456 1.00 34.21 H new ATOM 0 HZ1 LYS A 34 14.578 25.337 5.394 1.00 13.24 H new ATOM 0 HZ2 LYS A 34 14.797 24.542 6.879 1.00 13.24 H new ATOM 0 HZ3 LYS A 34 16.132 24.855 5.877 1.00 13.24 H new ATOM 592 N SER A 35 14.836 17.528 6.794 1.00 50.03 N ATOM 593 CA SER A 35 14.927 16.288 7.556 1.00 54.30 C ATOM 594 C SER A 35 14.059 15.201 6.929 1.00 25.43 C ATOM 595 O SER A 35 14.360 14.011 7.036 1.00 42.12 O ATOM 596 CB SER A 35 14.500 16.524 9.006 1.00 11.11 C ATOM 597 OG SER A 35 14.908 15.453 9.839 1.00 65.44 O ATOM 0 H SER A 35 14.476 18.323 7.323 1.00 50.03 H new ATOM 0 HA SER A 35 15.965 15.955 7.540 1.00 54.30 H new ATOM 0 HB2 SER A 35 14.933 17.456 9.369 1.00 11.11 H new ATOM 0 HB3 SER A 35 13.417 16.635 9.056 1.00 11.11 H new ATOM 0 HG SER A 35 14.624 15.629 10.760 1.00 65.44 H new ATOM 603 N THR A 36 12.980 15.617 6.274 1.00 10.15 N ATOM 604 CA THR A 36 12.067 14.680 5.631 1.00 4.33 C ATOM 605 C THR A 36 12.590 14.254 4.264 1.00 1.41 C ATOM 606 O THR A 36 12.462 13.094 3.873 1.00 24.04 O ATOM 607 CB THR A 36 10.663 15.290 5.464 1.00 34.41 C ATOM 608 OG1 THR A 36 10.126 15.643 6.744 1.00 24.10 O ATOM 609 CG2 THR A 36 9.728 14.311 4.769 1.00 15.25 C ATOM 0 H THR A 36 12.717 16.597 6.175 1.00 10.15 H new ATOM 0 HA THR A 36 12.001 13.807 6.280 1.00 4.33 H new ATOM 0 HB THR A 36 10.751 16.185 4.848 1.00 34.41 H new ATOM 0 HG1 THR A 36 10.168 16.615 6.859 1.00 24.10 H new ATOM 0 HG21 THR A 36 8.742 14.763 4.662 1.00 15.25 H new ATOM 0 HG22 THR A 36 10.124 14.067 3.783 1.00 15.25 H new ATOM 0 HG23 THR A 36 9.647 13.401 5.363 1.00 15.25 H new ATOM 617 N VAL A 37 13.180 15.200 3.540 1.00 1.43 N ATOM 618 CA VAL A 37 13.724 14.922 2.217 1.00 44.35 C ATOM 619 C VAL A 37 14.972 14.051 2.307 1.00 20.13 C ATOM 620 O VAL A 37 15.011 12.945 1.767 1.00 52.13 O ATOM 621 CB VAL A 37 14.073 16.223 1.469 1.00 62.25 C ATOM 622 CG1 VAL A 37 14.679 15.911 0.109 1.00 65.31 C ATOM 623 CG2 VAL A 37 12.839 17.100 1.323 1.00 42.35 C ATOM 0 H VAL A 37 13.293 16.166 3.848 1.00 1.43 H new ATOM 0 HA VAL A 37 12.951 14.389 1.663 1.00 44.35 H new ATOM 0 HB VAL A 37 14.813 16.770 2.053 1.00 62.25 H new ATOM 0 HG11 VAL A 37 14.919 16.842 -0.405 1.00 65.31 H new ATOM 0 HG12 VAL A 37 15.588 15.325 0.242 1.00 65.31 H new ATOM 0 HG13 VAL A 37 13.964 15.342 -0.486 1.00 65.31 H new ATOM 0 HG21 VAL A 37 13.103 18.015 0.792 1.00 42.35 H new ATOM 0 HG22 VAL A 37 12.075 16.563 0.761 1.00 42.35 H new ATOM 0 HG23 VAL A 37 12.453 17.352 2.311 1.00 42.35 H new ATOM 633 N HIS A 38 15.991 14.556 2.995 1.00 23.11 N ATOM 634 CA HIS A 38 17.242 13.823 3.158 1.00 33.21 C ATOM 635 C HIS A 38 16.980 12.411 3.673 1.00 63.40 C ATOM 636 O HIS A 38 17.757 11.490 3.415 1.00 54.51 O ATOM 637 CB HIS A 38 18.171 14.565 4.119 1.00 31.22 C ATOM 638 CG HIS A 38 19.326 15.233 3.439 1.00 12.42 C ATOM 639 ND1 HIS A 38 19.862 16.429 3.868 1.00 11.31 N ATOM 640 CD2 HIS A 38 20.049 14.866 2.356 1.00 72.24 C ATOM 641 CE1 HIS A 38 20.864 16.769 3.077 1.00 55.24 C ATOM 642 NE2 HIS A 38 20.998 15.837 2.151 1.00 71.22 N ATOM 0 H HIS A 38 15.975 15.469 3.449 1.00 23.11 H new ATOM 0 HA HIS A 38 17.723 13.752 2.183 1.00 33.21 H new ATOM 0 HB2 HIS A 38 17.595 15.315 4.661 1.00 31.22 H new ATOM 0 HB3 HIS A 38 18.553 13.861 4.858 1.00 31.22 H new ATOM 0 HD1 HIS A 38 19.536 16.967 4.671 1.00 11.31 H new ATOM 0 HD2 HIS A 38 19.906 13.975 1.763 1.00 72.24 H new ATOM 0 HE1 HIS A 38 21.470 17.658 3.172 1.00 55.24 H new ATOM 650 N LYS A 39 15.882 12.246 4.403 1.00 5.02 N ATOM 651 CA LYS A 39 15.517 10.947 4.954 1.00 23.55 C ATOM 652 C LYS A 39 15.304 9.924 3.843 1.00 42.34 C ATOM 653 O LYS A 39 15.802 8.801 3.916 1.00 62.32 O ATOM 654 CB LYS A 39 14.248 11.067 5.801 1.00 2.11 C ATOM 655 CG LYS A 39 13.749 9.738 6.341 1.00 0.24 C ATOM 656 CD LYS A 39 13.132 9.894 7.721 1.00 35.21 C ATOM 657 CE LYS A 39 13.643 8.833 8.684 1.00 45.33 C ATOM 658 NZ LYS A 39 12.560 8.311 9.561 1.00 75.21 N ATOM 0 H LYS A 39 15.229 12.997 4.627 1.00 5.02 H new ATOM 0 HA LYS A 39 16.337 10.606 5.585 1.00 23.55 H new ATOM 0 HB2 LYS A 39 14.441 11.740 6.637 1.00 2.11 H new ATOM 0 HB3 LYS A 39 13.462 11.524 5.200 1.00 2.11 H new ATOM 0 HG2 LYS A 39 13.011 9.320 5.656 1.00 0.24 H new ATOM 0 HG3 LYS A 39 14.576 9.030 6.389 1.00 0.24 H new ATOM 0 HD2 LYS A 39 13.362 10.884 8.114 1.00 35.21 H new ATOM 0 HD3 LYS A 39 12.047 9.826 7.645 1.00 35.21 H new ATOM 0 HE2 LYS A 39 14.080 8.010 8.119 1.00 45.33 H new ATOM 0 HE3 LYS A 39 14.437 9.254 9.300 1.00 45.33 H new ATOM 0 HZ1 LYS A 39 12.949 7.591 10.202 1.00 75.21 H new ATOM 0 HZ2 LYS A 39 12.159 9.091 10.120 1.00 75.21 H new ATOM 0 HZ3 LYS A 39 11.813 7.886 8.975 1.00 75.21 H new ATOM 672 N ASP A 40 14.563 10.321 2.814 1.00 1.52 N ATOM 673 CA ASP A 40 14.287 9.440 1.686 1.00 54.45 C ATOM 674 C ASP A 40 15.403 9.518 0.649 1.00 2.21 C ATOM 675 O ASP A 40 15.735 8.524 0.002 1.00 33.22 O ATOM 676 CB ASP A 40 12.949 9.807 1.041 1.00 71.12 C ATOM 677 CG ASP A 40 11.766 9.455 1.921 1.00 21.32 C ATOM 678 OD1 ASP A 40 11.545 10.159 2.929 1.00 44.22 O ATOM 679 OD2 ASP A 40 11.060 8.475 1.602 1.00 4.32 O ATOM 0 H ASP A 40 14.143 11.247 2.738 1.00 1.52 H new ATOM 0 HA ASP A 40 14.234 8.418 2.060 1.00 54.45 H new ATOM 0 HB2 ASP A 40 12.933 10.876 0.827 1.00 71.12 H new ATOM 0 HB3 ASP A 40 12.855 9.289 0.087 1.00 71.12 H new ATOM 684 N LEU A 41 15.979 10.705 0.496 1.00 41.34 N ATOM 685 CA LEU A 41 17.058 10.914 -0.463 1.00 65.24 C ATOM 686 C LEU A 41 18.264 10.044 -0.124 1.00 25.14 C ATOM 687 O LEU A 41 19.140 9.821 -0.961 1.00 13.50 O ATOM 688 CB LEU A 41 17.469 12.387 -0.487 1.00 54.32 C ATOM 689 CG LEU A 41 16.677 13.289 -1.435 1.00 45.04 C ATOM 690 CD1 LEU A 41 17.298 13.279 -2.824 1.00 4.14 C ATOM 691 CD2 LEU A 41 15.221 12.851 -1.497 1.00 65.03 C ATOM 0 H LEU A 41 15.717 11.538 1.024 1.00 41.34 H new ATOM 0 HA LEU A 41 16.693 10.629 -1.450 1.00 65.24 H new ATOM 0 HB2 LEU A 41 17.377 12.786 0.523 1.00 54.32 H new ATOM 0 HB3 LEU A 41 18.523 12.445 -0.758 1.00 54.32 H new ATOM 0 HG LEU A 41 16.713 14.308 -1.050 1.00 45.04 H new ATOM 0 HD11 LEU A 41 16.721 13.926 -3.485 1.00 4.14 H new ATOM 0 HD12 LEU A 41 18.324 13.641 -2.766 1.00 4.14 H new ATOM 0 HD13 LEU A 41 17.294 12.262 -3.217 1.00 4.14 H new ATOM 0 HD21 LEU A 41 14.673 13.504 -2.176 1.00 65.03 H new ATOM 0 HD22 LEU A 41 15.165 11.824 -1.857 1.00 65.03 H new ATOM 0 HD23 LEU A 41 14.780 12.911 -0.502 1.00 65.03 H new ATOM 703 N THR A 42 18.304 9.552 1.111 1.00 73.32 N ATOM 704 CA THR A 42 19.401 8.705 1.562 1.00 42.34 C ATOM 705 C THR A 42 18.906 7.310 1.925 1.00 0.21 C ATOM 706 O THR A 42 19.678 6.468 2.383 1.00 15.34 O ATOM 707 CB THR A 42 20.118 9.317 2.780 1.00 23.20 C ATOM 708 OG1 THR A 42 19.234 9.345 3.906 1.00 71.12 O ATOM 709 CG2 THR A 42 20.601 10.726 2.473 1.00 41.24 C ATOM 0 H THR A 42 17.588 9.726 1.817 1.00 73.32 H new ATOM 0 HA THR A 42 20.106 8.632 0.734 1.00 42.34 H new ATOM 0 HB THR A 42 20.983 8.697 3.013 1.00 23.20 H new ATOM 0 HG1 THR A 42 18.523 10.000 3.747 1.00 71.12 H new ATOM 0 HG21 THR A 42 21.104 11.137 3.348 1.00 41.24 H new ATOM 0 HG22 THR A 42 21.297 10.697 1.635 1.00 41.24 H new ATOM 0 HG23 THR A 42 19.749 11.355 2.216 1.00 41.24 H new ATOM 717 N GLU A 43 17.615 7.072 1.717 1.00 53.52 N ATOM 718 CA GLU A 43 17.018 5.778 2.023 1.00 32.14 C ATOM 719 C GLU A 43 16.357 5.177 0.786 1.00 31.22 C ATOM 720 O GLU A 43 16.880 4.239 0.184 1.00 35.43 O ATOM 721 CB GLU A 43 15.989 5.919 3.147 1.00 11.01 C ATOM 722 CG GLU A 43 16.610 6.091 4.523 1.00 20.41 C ATOM 723 CD GLU A 43 16.701 4.785 5.289 1.00 42.01 C ATOM 724 OE1 GLU A 43 15.645 4.272 5.714 1.00 54.21 O ATOM 725 OE2 GLU A 43 17.828 4.276 5.463 1.00 1.45 O ATOM 0 H GLU A 43 16.963 7.758 1.338 1.00 53.52 H new ATOM 0 HA GLU A 43 17.813 5.108 2.350 1.00 32.14 H new ATOM 0 HB2 GLU A 43 15.349 6.776 2.937 1.00 11.01 H new ATOM 0 HB3 GLU A 43 15.348 5.037 3.154 1.00 11.01 H new ATOM 0 HG2 GLU A 43 17.608 6.516 4.417 1.00 20.41 H new ATOM 0 HG3 GLU A 43 16.019 6.805 5.098 1.00 20.41 H new ATOM 732 N ARG A 44 15.205 5.724 0.414 1.00 75.15 N ATOM 733 CA ARG A 44 14.471 5.241 -0.750 1.00 53.21 C ATOM 734 C ARG A 44 15.211 5.583 -2.040 1.00 22.31 C ATOM 735 O ARG A 44 15.411 4.724 -2.900 1.00 74.20 O ATOM 736 CB ARG A 44 13.066 5.846 -0.781 1.00 11.04 C ATOM 737 CG ARG A 44 12.117 5.234 0.237 1.00 70.33 C ATOM 738 CD ARG A 44 11.672 3.842 -0.184 1.00 74.11 C ATOM 739 NE ARG A 44 12.401 2.795 0.527 1.00 13.54 N ATOM 740 CZ ARG A 44 12.118 2.417 1.769 1.00 73.32 C ATOM 741 NH1 ARG A 44 11.126 2.995 2.432 1.00 3.33 N ATOM 742 NH2 ARG A 44 12.827 1.457 2.349 1.00 71.22 N ATOM 0 H ARG A 44 14.759 6.502 0.901 1.00 75.15 H new ATOM 0 HA ARG A 44 14.391 4.157 -0.673 1.00 53.21 H new ATOM 0 HB2 ARG A 44 13.137 6.918 -0.600 1.00 11.04 H new ATOM 0 HB3 ARG A 44 12.647 5.718 -1.779 1.00 11.04 H new ATOM 0 HG2 ARG A 44 12.608 5.182 1.209 1.00 70.33 H new ATOM 0 HG3 ARG A 44 11.244 5.876 0.355 1.00 70.33 H new ATOM 0 HD2 ARG A 44 10.604 3.731 0.003 1.00 74.11 H new ATOM 0 HD3 ARG A 44 11.822 3.723 -1.257 1.00 74.11 H new ATOM 0 HE ARG A 44 13.169 2.329 0.044 1.00 13.54 H new ATOM 0 HH11 ARG A 44 10.578 3.732 1.989 1.00 3.33 H new ATOM 0 HH12 ARG A 44 10.911 2.703 3.385 1.00 3.33 H new ATOM 0 HH21 ARG A 44 13.590 1.009 1.841 1.00 71.22 H new ATOM 0 HH22 ARG A 44 12.609 1.167 3.302 1.00 71.22 H new ATOM 756 N LEU A 45 15.616 6.841 -2.168 1.00 11.41 N ATOM 757 CA LEU A 45 16.334 7.297 -3.353 1.00 2.30 C ATOM 758 C LEU A 45 17.411 6.295 -3.756 1.00 41.21 C ATOM 759 O LEU A 45 17.418 5.769 -4.869 1.00 24.50 O ATOM 760 CB LEU A 45 16.966 8.666 -3.095 1.00 42.32 C ATOM 761 CG LEU A 45 18.244 8.974 -3.877 1.00 74.24 C ATOM 762 CD1 LEU A 45 18.042 8.698 -5.359 1.00 73.12 C ATOM 763 CD2 LEU A 45 18.671 10.417 -3.655 1.00 55.52 C ATOM 0 H LEU A 45 15.460 7.564 -1.466 1.00 11.41 H new ATOM 0 HA LEU A 45 15.619 7.382 -4.171 1.00 2.30 H new ATOM 0 HB2 LEU A 45 16.228 9.434 -3.327 1.00 42.32 H new ATOM 0 HB3 LEU A 45 17.187 8.747 -2.031 1.00 42.32 H new ATOM 0 HG LEU A 45 19.037 8.322 -3.511 1.00 74.24 H new ATOM 0 HD11 LEU A 45 18.961 8.923 -5.900 1.00 73.12 H new ATOM 0 HD12 LEU A 45 17.784 7.649 -5.502 1.00 73.12 H new ATOM 0 HD13 LEU A 45 17.235 9.325 -5.739 1.00 73.12 H new ATOM 0 HD21 LEU A 45 19.582 10.618 -4.219 1.00 55.52 H new ATOM 0 HD22 LEU A 45 17.880 11.087 -3.993 1.00 55.52 H new ATOM 0 HD23 LEU A 45 18.858 10.582 -2.594 1.00 55.52 H new ATOM 775 N PRO A 46 18.342 6.022 -2.830 1.00 45.52 N ATOM 776 CA PRO A 46 19.440 5.079 -3.065 1.00 51.41 C ATOM 777 C PRO A 46 18.956 3.635 -3.145 1.00 43.53 C ATOM 778 O PRO A 46 19.541 2.814 -3.851 1.00 0.42 O ATOM 779 CB PRO A 46 20.342 5.274 -1.844 1.00 43.11 C ATOM 780 CG PRO A 46 19.434 5.784 -0.779 1.00 71.21 C ATOM 781 CD PRO A 46 18.396 6.613 -1.483 1.00 14.45 C ATOM 0 HA PRO A 46 19.940 5.264 -4.015 1.00 51.41 H new ATOM 0 HB2 PRO A 46 20.814 4.337 -1.547 1.00 43.11 H new ATOM 0 HB3 PRO A 46 21.144 5.982 -2.053 1.00 43.11 H new ATOM 0 HG2 PRO A 46 18.972 4.961 -0.233 1.00 71.21 H new ATOM 0 HG3 PRO A 46 19.983 6.381 -0.051 1.00 71.21 H new ATOM 0 HD2 PRO A 46 17.430 6.558 -0.981 1.00 14.45 H new ATOM 0 HD3 PRO A 46 18.678 7.665 -1.517 1.00 14.45 H new ATOM 789 N GLU A 47 17.885 3.334 -2.418 1.00 61.30 N ATOM 790 CA GLU A 47 17.324 1.988 -2.408 1.00 21.22 C ATOM 791 C GLU A 47 16.781 1.614 -3.784 1.00 40.21 C ATOM 792 O GLU A 47 16.980 0.495 -4.258 1.00 54.34 O ATOM 793 CB GLU A 47 16.211 1.883 -1.363 1.00 24.03 C ATOM 794 CG GLU A 47 16.690 1.377 -0.012 1.00 63.14 C ATOM 795 CD GLU A 47 16.295 -0.065 0.244 1.00 44.42 C ATOM 796 OE1 GLU A 47 16.646 -0.931 -0.585 1.00 32.25 O ATOM 797 OE2 GLU A 47 15.636 -0.326 1.272 1.00 63.14 O ATOM 0 H GLU A 47 17.389 4.003 -1.829 1.00 61.30 H new ATOM 0 HA GLU A 47 18.122 1.292 -2.150 1.00 21.22 H new ATOM 0 HB2 GLU A 47 15.753 2.863 -1.233 1.00 24.03 H new ATOM 0 HB3 GLU A 47 15.435 1.216 -1.737 1.00 24.03 H new ATOM 0 HG2 GLU A 47 17.775 1.468 0.042 1.00 63.14 H new ATOM 0 HG3 GLU A 47 16.278 2.008 0.775 1.00 63.14 H new ATOM 804 N ILE A 48 16.095 2.558 -4.419 1.00 11.40 N ATOM 805 CA ILE A 48 15.524 2.329 -5.740 1.00 54.12 C ATOM 806 C ILE A 48 16.500 2.734 -6.839 1.00 42.22 C ATOM 807 O ILE A 48 16.438 2.225 -7.957 1.00 61.12 O ATOM 808 CB ILE A 48 14.207 3.106 -5.927 1.00 1.21 C ATOM 809 CG1 ILE A 48 14.410 4.585 -5.591 1.00 22.00 C ATOM 810 CG2 ILE A 48 13.110 2.506 -5.060 1.00 4.22 C ATOM 811 CD1 ILE A 48 13.839 5.525 -6.630 1.00 24.41 C ATOM 0 H ILE A 48 15.921 3.489 -4.040 1.00 11.40 H new ATOM 0 HA ILE A 48 15.320 1.261 -5.814 1.00 54.12 H new ATOM 0 HB ILE A 48 13.902 3.028 -6.970 1.00 1.21 H new ATOM 0 HG12 ILE A 48 13.947 4.797 -4.627 1.00 22.00 H new ATOM 0 HG13 ILE A 48 15.477 4.781 -5.482 1.00 22.00 H new ATOM 0 HG21 ILE A 48 12.186 3.066 -5.203 1.00 4.22 H new ATOM 0 HG22 ILE A 48 12.951 1.465 -5.343 1.00 4.22 H new ATOM 0 HG23 ILE A 48 13.406 2.556 -4.012 1.00 4.22 H new ATOM 0 HD11 ILE A 48 14.019 6.556 -6.326 1.00 24.41 H new ATOM 0 HD12 ILE A 48 14.319 5.340 -7.591 1.00 24.41 H new ATOM 0 HD13 ILE A 48 12.766 5.357 -6.723 1.00 24.41 H new ATOM 823 N ASN A 49 17.403 3.653 -6.512 1.00 10.12 N ATOM 824 CA ASN A 49 18.395 4.126 -7.471 1.00 14.11 C ATOM 825 C ASN A 49 19.683 4.536 -6.764 1.00 31.01 C ATOM 826 O ASN A 49 19.797 5.632 -6.214 1.00 61.41 O ATOM 827 CB ASN A 49 17.840 5.308 -8.269 1.00 75.41 C ATOM 828 CG ASN A 49 17.322 4.892 -9.633 1.00 0.04 C ATOM 829 OD1 ASN A 49 17.939 4.079 -10.322 1.00 13.43 O ATOM 830 ND2 ASN A 49 16.184 5.450 -10.028 1.00 73.24 N ATOM 0 H ASN A 49 17.468 4.085 -5.590 1.00 10.12 H new ATOM 0 HA ASN A 49 18.621 3.308 -8.155 1.00 14.11 H new ATOM 0 HB2 ASN A 49 17.034 5.777 -7.705 1.00 75.41 H new ATOM 0 HB3 ASN A 49 18.621 6.058 -8.393 1.00 75.41 H new ATOM 0 HD21 ASN A 49 15.786 5.210 -10.936 1.00 73.24 H new ATOM 0 HD22 ASN A 49 15.707 6.119 -9.423 1.00 73.24 H new ATOM 837 N PRO A 50 20.678 3.636 -6.778 1.00 54.22 N ATOM 838 CA PRO A 50 21.976 3.882 -6.144 1.00 63.13 C ATOM 839 C PRO A 50 22.791 4.939 -6.882 1.00 14.32 C ATOM 840 O PRO A 50 23.472 5.756 -6.262 1.00 11.03 O ATOM 841 CB PRO A 50 22.672 2.521 -6.222 1.00 62.31 C ATOM 842 CG PRO A 50 22.038 1.837 -7.384 1.00 43.11 C ATOM 843 CD PRO A 50 20.611 2.310 -7.415 1.00 2.02 C ATOM 0 HA PRO A 50 21.868 4.264 -5.129 1.00 63.13 H new ATOM 0 HB2 PRO A 50 23.746 2.634 -6.367 1.00 62.31 H new ATOM 0 HB3 PRO A 50 22.532 1.952 -5.303 1.00 62.31 H new ATOM 0 HG2 PRO A 50 22.552 2.087 -8.312 1.00 43.11 H new ATOM 0 HG3 PRO A 50 22.088 0.754 -7.274 1.00 43.11 H new ATOM 0 HD2 PRO A 50 20.230 2.373 -8.434 1.00 2.02 H new ATOM 0 HD3 PRO A 50 19.952 1.635 -6.869 1.00 2.02 H new ATOM 851 N ASP A 51 22.715 4.919 -8.208 1.00 23.31 N ATOM 852 CA ASP A 51 23.445 5.877 -9.030 1.00 55.32 C ATOM 853 C ASP A 51 22.911 7.291 -8.819 1.00 23.11 C ATOM 854 O ASP A 51 23.678 8.226 -8.584 1.00 54.45 O ATOM 855 CB ASP A 51 23.342 5.496 -10.508 1.00 23.22 C ATOM 856 CG ASP A 51 24.698 5.423 -11.182 1.00 41.22 C ATOM 857 OD1 ASP A 51 25.406 6.452 -11.203 1.00 31.44 O ATOM 858 OD2 ASP A 51 25.051 4.338 -11.690 1.00 41.12 O ATOM 0 H ASP A 51 22.155 4.250 -8.737 1.00 23.31 H new ATOM 0 HA ASP A 51 24.492 5.854 -8.729 1.00 55.32 H new ATOM 0 HB2 ASP A 51 22.842 4.531 -10.598 1.00 23.22 H new ATOM 0 HB3 ASP A 51 22.721 6.226 -11.026 1.00 23.22 H new ATOM 863 N LEU A 52 21.594 7.440 -8.904 1.00 61.45 N ATOM 864 CA LEU A 52 20.958 8.740 -8.724 1.00 34.34 C ATOM 865 C LEU A 52 21.188 9.267 -7.311 1.00 45.31 C ATOM 866 O LEU A 52 21.186 10.476 -7.081 1.00 45.24 O ATOM 867 CB LEU A 52 19.457 8.638 -9.003 1.00 41.45 C ATOM 868 CG LEU A 52 18.890 9.651 -10.000 1.00 23.44 C ATOM 869 CD1 LEU A 52 17.429 9.349 -10.294 1.00 21.00 C ATOM 870 CD2 LEU A 52 19.048 11.068 -9.468 1.00 34.32 C ATOM 0 H LEU A 52 20.946 6.677 -9.096 1.00 61.45 H new ATOM 0 HA LEU A 52 21.407 9.438 -9.431 1.00 34.34 H new ATOM 0 HB2 LEU A 52 19.244 7.635 -9.373 1.00 41.45 H new ATOM 0 HB3 LEU A 52 18.924 8.749 -8.059 1.00 41.45 H new ATOM 0 HG LEU A 52 19.451 9.570 -10.931 1.00 23.44 H new ATOM 0 HD11 LEU A 52 17.042 10.079 -11.005 1.00 21.00 H new ATOM 0 HD12 LEU A 52 17.342 8.349 -10.718 1.00 21.00 H new ATOM 0 HD13 LEU A 52 16.853 9.402 -9.370 1.00 21.00 H new ATOM 0 HD21 LEU A 52 18.639 11.775 -10.190 1.00 34.32 H new ATOM 0 HD22 LEU A 52 18.513 11.164 -8.523 1.00 34.32 H new ATOM 0 HD23 LEU A 52 20.105 11.281 -9.309 1.00 34.32 H new ATOM 882 N ALA A 53 21.389 8.352 -6.369 1.00 23.03 N ATOM 883 CA ALA A 53 21.626 8.725 -4.980 1.00 2.03 C ATOM 884 C ALA A 53 22.952 9.463 -4.828 1.00 22.42 C ATOM 885 O ALA A 53 23.130 10.255 -3.904 1.00 21.35 O ATOM 886 CB ALA A 53 21.602 7.491 -4.090 1.00 74.22 C ATOM 0 H ALA A 53 21.392 7.347 -6.542 1.00 23.03 H new ATOM 0 HA ALA A 53 20.827 9.399 -4.670 1.00 2.03 H new ATOM 0 HB1 ALA A 53 21.780 7.785 -3.056 1.00 74.22 H new ATOM 0 HB2 ALA A 53 20.629 7.006 -4.167 1.00 74.22 H new ATOM 0 HB3 ALA A 53 22.379 6.797 -4.409 1.00 74.22 H new ATOM 892 N ASN A 54 23.880 9.196 -5.741 1.00 23.00 N ATOM 893 CA ASN A 54 25.191 9.834 -5.707 1.00 64.11 C ATOM 894 C ASN A 54 25.082 11.319 -6.037 1.00 42.42 C ATOM 895 O ASN A 54 25.814 12.142 -5.488 1.00 15.35 O ATOM 896 CB ASN A 54 26.140 9.149 -6.693 1.00 3.31 C ATOM 897 CG ASN A 54 27.224 8.351 -5.993 1.00 53.44 C ATOM 898 OD1 ASN A 54 27.839 8.824 -5.037 1.00 73.13 O ATOM 899 ND2 ASN A 54 27.462 7.135 -6.469 1.00 23.55 N ATOM 0 H ASN A 54 23.749 8.543 -6.513 1.00 23.00 H new ATOM 0 HA ASN A 54 25.591 9.733 -4.698 1.00 64.11 H new ATOM 0 HB2 ASN A 54 25.568 8.487 -7.343 1.00 3.31 H new ATOM 0 HB3 ASN A 54 26.602 9.902 -7.331 1.00 3.31 H new ATOM 0 HD21 ASN A 54 28.180 6.551 -6.040 1.00 23.55 H new ATOM 0 HD22 ASN A 54 26.927 6.785 -7.264 1.00 23.55 H new ATOM 906 N GLU A 55 24.164 11.654 -6.938 1.00 35.00 N ATOM 907 CA GLU A 55 23.959 13.040 -7.341 1.00 2.41 C ATOM 908 C GLU A 55 23.744 13.935 -6.123 1.00 65.13 C ATOM 909 O GLU A 55 24.479 14.900 -5.911 1.00 15.11 O ATOM 910 CB GLU A 55 22.760 13.149 -8.285 1.00 31.10 C ATOM 911 CG GLU A 55 22.797 12.154 -9.433 1.00 0.20 C ATOM 912 CD GLU A 55 21.726 12.423 -10.473 1.00 23.04 C ATOM 913 OE1 GLU A 55 20.842 13.265 -10.209 1.00 22.22 O ATOM 914 OE2 GLU A 55 21.772 11.792 -11.549 1.00 61.01 O ATOM 0 H GLU A 55 23.551 10.985 -7.403 1.00 35.00 H new ATOM 0 HA GLU A 55 24.855 13.375 -7.864 1.00 2.41 H new ATOM 0 HB2 GLU A 55 21.844 12.998 -7.714 1.00 31.10 H new ATOM 0 HB3 GLU A 55 22.719 14.159 -8.692 1.00 31.10 H new ATOM 0 HG2 GLU A 55 23.777 12.190 -9.909 1.00 0.20 H new ATOM 0 HG3 GLU A 55 22.671 11.146 -9.039 1.00 0.20 H new ATOM 921 N VAL A 56 22.732 13.607 -5.327 1.00 23.14 N ATOM 922 CA VAL A 56 22.420 14.379 -4.130 1.00 1.12 C ATOM 923 C VAL A 56 23.564 14.321 -3.124 1.00 64.41 C ATOM 924 O VAL A 56 23.742 15.231 -2.315 1.00 13.15 O ATOM 925 CB VAL A 56 21.132 13.872 -3.455 1.00 53.20 C ATOM 926 CG1 VAL A 56 21.312 12.444 -2.963 1.00 45.23 C ATOM 927 CG2 VAL A 56 20.732 14.792 -2.311 1.00 44.22 C ATOM 0 H VAL A 56 22.114 12.812 -5.489 1.00 23.14 H new ATOM 0 HA VAL A 56 22.273 15.411 -4.449 1.00 1.12 H new ATOM 0 HB VAL A 56 20.330 13.878 -4.193 1.00 53.20 H new ATOM 0 HG11 VAL A 56 20.391 12.104 -2.489 1.00 45.23 H new ATOM 0 HG12 VAL A 56 21.547 11.795 -3.807 1.00 45.23 H new ATOM 0 HG13 VAL A 56 22.127 12.408 -2.240 1.00 45.23 H new ATOM 0 HG21 VAL A 56 19.820 14.418 -1.846 1.00 44.22 H new ATOM 0 HG22 VAL A 56 21.532 14.821 -1.571 1.00 44.22 H new ATOM 0 HG23 VAL A 56 20.558 15.797 -2.696 1.00 44.22 H new ATOM 937 N LYS A 57 24.340 13.243 -3.181 1.00 0.32 N ATOM 938 CA LYS A 57 25.470 13.065 -2.277 1.00 32.24 C ATOM 939 C LYS A 57 26.644 13.945 -2.693 1.00 21.12 C ATOM 940 O LYS A 57 27.447 14.359 -1.857 1.00 53.43 O ATOM 941 CB LYS A 57 25.902 11.597 -2.251 1.00 45.13 C ATOM 942 CG LYS A 57 27.268 11.376 -1.625 1.00 2.35 C ATOM 943 CD LYS A 57 27.310 11.873 -0.189 1.00 40.42 C ATOM 944 CE LYS A 57 26.442 11.019 0.722 1.00 53.41 C ATOM 945 NZ LYS A 57 27.008 9.655 0.908 1.00 31.23 N ATOM 0 H LYS A 57 24.206 12.480 -3.844 1.00 0.32 H new ATOM 0 HA LYS A 57 25.154 13.362 -1.277 1.00 32.24 H new ATOM 0 HB2 LYS A 57 25.161 11.019 -1.699 1.00 45.13 H new ATOM 0 HB3 LYS A 57 25.912 11.212 -3.271 1.00 45.13 H new ATOM 0 HG2 LYS A 57 27.514 10.314 -1.651 1.00 2.35 H new ATOM 0 HG3 LYS A 57 28.027 11.893 -2.212 1.00 2.35 H new ATOM 0 HD2 LYS A 57 28.339 11.861 0.171 1.00 40.42 H new ATOM 0 HD3 LYS A 57 26.971 12.908 -0.151 1.00 40.42 H new ATOM 0 HE2 LYS A 57 26.344 11.507 1.692 1.00 53.41 H new ATOM 0 HE3 LYS A 57 25.440 10.942 0.301 1.00 53.41 H new ATOM 0 HZ1 LYS A 57 26.509 9.175 1.684 1.00 31.23 H new ATOM 0 HZ2 LYS A 57 26.892 9.108 0.031 1.00 31.23 H new ATOM 0 HZ3 LYS A 57 28.019 9.727 1.139 1.00 31.23 H new ATOM 959 N GLU A 58 26.737 14.227 -3.989 1.00 34.43 N ATOM 960 CA GLU A 58 27.813 15.058 -4.514 1.00 0.31 C ATOM 961 C GLU A 58 27.702 16.487 -3.989 1.00 24.10 C ATOM 962 O GLU A 58 28.654 17.027 -3.424 1.00 32.13 O ATOM 963 CB GLU A 58 27.785 15.062 -6.044 1.00 34.12 C ATOM 964 CG GLU A 58 28.324 13.785 -6.666 1.00 34.55 C ATOM 965 CD GLU A 58 28.857 13.999 -8.069 1.00 34.51 C ATOM 966 OE1 GLU A 58 30.046 14.355 -8.203 1.00 61.11 O ATOM 967 OE2 GLU A 58 28.085 13.810 -9.032 1.00 41.14 O ATOM 0 H GLU A 58 26.080 13.892 -4.694 1.00 34.43 H new ATOM 0 HA GLU A 58 28.760 14.637 -4.176 1.00 0.31 H new ATOM 0 HB2 GLU A 58 26.759 15.215 -6.380 1.00 34.12 H new ATOM 0 HB3 GLU A 58 28.369 15.908 -6.407 1.00 34.12 H new ATOM 0 HG2 GLU A 58 29.119 13.386 -6.036 1.00 34.55 H new ATOM 0 HG3 GLU A 58 27.532 13.036 -6.692 1.00 34.55 H new ATOM 974 N ILE A 59 26.535 17.093 -4.181 1.00 25.33 N ATOM 975 CA ILE A 59 26.300 18.458 -3.727 1.00 21.55 C ATOM 976 C ILE A 59 26.518 18.582 -2.222 1.00 72.44 C ATOM 977 O ILE A 59 26.910 19.639 -1.726 1.00 35.43 O ATOM 978 CB ILE A 59 24.873 18.926 -4.068 1.00 2.23 C ATOM 979 CG1 ILE A 59 23.841 18.042 -3.365 1.00 11.43 C ATOM 980 CG2 ILE A 59 24.656 18.909 -5.573 1.00 71.24 C ATOM 981 CD1 ILE A 59 22.412 18.485 -3.591 1.00 63.12 C ATOM 0 H ILE A 59 25.738 16.660 -4.648 1.00 25.33 H new ATOM 0 HA ILE A 59 27.016 19.092 -4.249 1.00 21.55 H new ATOM 0 HB ILE A 59 24.748 19.949 -3.714 1.00 2.23 H new ATOM 0 HG12 ILE A 59 23.955 17.016 -3.715 1.00 11.43 H new ATOM 0 HG13 ILE A 59 24.047 18.038 -2.295 1.00 11.43 H new ATOM 0 HG21 ILE A 59 23.643 19.242 -5.798 1.00 71.24 H new ATOM 0 HG22 ILE A 59 25.372 19.577 -6.051 1.00 71.24 H new ATOM 0 HG23 ILE A 59 24.797 17.896 -5.949 1.00 71.24 H new ATOM 0 HD11 ILE A 59 21.735 17.813 -3.064 1.00 63.12 H new ATOM 0 HD12 ILE A 59 22.282 19.500 -3.215 1.00 63.12 H new ATOM 0 HD13 ILE A 59 22.188 18.462 -4.658 1.00 63.12 H new ATOM 993 N LEU A 60 26.263 17.495 -1.502 1.00 3.02 N ATOM 994 CA LEU A 60 26.433 17.481 -0.053 1.00 63.40 C ATOM 995 C LEU A 60 27.888 17.735 0.327 1.00 4.10 C ATOM 996 O LEU A 60 28.178 18.544 1.209 1.00 53.11 O ATOM 997 CB LEU A 60 25.971 16.140 0.521 1.00 3.11 C ATOM 998 CG LEU A 60 24.465 15.985 0.737 1.00 44.54 C ATOM 999 CD1 LEU A 60 24.144 14.606 1.291 1.00 43.14 C ATOM 1000 CD2 LEU A 60 23.946 17.071 1.668 1.00 32.33 C ATOM 0 H LEU A 60 25.938 16.613 -1.897 1.00 3.02 H new ATOM 0 HA LEU A 60 25.822 18.280 0.368 1.00 63.40 H new ATOM 0 HB2 LEU A 60 26.305 15.347 -0.148 1.00 3.11 H new ATOM 0 HB3 LEU A 60 26.473 15.984 1.476 1.00 3.11 H new ATOM 0 HG LEU A 60 23.966 16.091 -0.226 1.00 44.54 H new ATOM 0 HD11 LEU A 60 23.068 14.514 1.438 1.00 43.14 H new ATOM 0 HD12 LEU A 60 24.480 13.844 0.588 1.00 43.14 H new ATOM 0 HD13 LEU A 60 24.653 14.469 2.245 1.00 43.14 H new ATOM 0 HD21 LEU A 60 22.873 16.946 1.811 1.00 32.33 H new ATOM 0 HD22 LEU A 60 24.451 16.997 2.631 1.00 32.33 H new ATOM 0 HD23 LEU A 60 24.142 18.050 1.230 1.00 32.33 H new ATOM 1012 N ASP A 61 28.800 17.041 -0.345 1.00 40.13 N ATOM 1013 CA ASP A 61 30.226 17.194 -0.081 1.00 11.23 C ATOM 1014 C ASP A 61 30.669 18.636 -0.308 1.00 10.35 C ATOM 1015 O ASP A 61 31.645 19.097 0.285 1.00 11.01 O ATOM 1016 CB ASP A 61 31.036 16.252 -0.973 1.00 10.41 C ATOM 1017 CG ASP A 61 32.501 16.204 -0.585 1.00 13.33 C ATOM 1018 OD1 ASP A 61 32.801 16.354 0.618 1.00 23.04 O ATOM 1019 OD2 ASP A 61 33.346 16.016 -1.484 1.00 4.02 O ATOM 0 H ASP A 61 28.577 16.367 -1.077 1.00 40.13 H new ATOM 0 HA ASP A 61 30.406 16.937 0.963 1.00 11.23 H new ATOM 0 HB2 ASP A 61 30.614 15.249 -0.914 1.00 10.41 H new ATOM 0 HB3 ASP A 61 30.948 16.574 -2.011 1.00 10.41 H new ATOM 1024 N TYR A 62 29.946 19.343 -1.169 1.00 63.03 N ATOM 1025 CA TYR A 62 30.267 20.732 -1.477 1.00 71.45 C ATOM 1026 C TYR A 62 29.618 21.677 -0.471 1.00 72.20 C ATOM 1027 O TYR A 62 30.126 22.768 -0.209 1.00 33.41 O ATOM 1028 CB TYR A 62 29.806 21.081 -2.893 1.00 53.43 C ATOM 1029 CG TYR A 62 29.676 22.568 -3.138 1.00 61.21 C ATOM 1030 CD1 TYR A 62 30.798 23.387 -3.170 1.00 53.04 C ATOM 1031 CD2 TYR A 62 28.432 23.153 -3.338 1.00 73.31 C ATOM 1032 CE1 TYR A 62 30.684 24.746 -3.393 1.00 33.41 C ATOM 1033 CE2 TYR A 62 28.308 24.510 -3.563 1.00 3.32 C ATOM 1034 CZ TYR A 62 29.437 25.302 -3.589 1.00 1.52 C ATOM 1035 OH TYR A 62 29.319 26.655 -3.812 1.00 45.22 O ATOM 0 H TYR A 62 29.134 18.978 -1.666 1.00 63.03 H new ATOM 0 HA TYR A 62 31.349 20.851 -1.414 1.00 71.45 H new ATOM 0 HB2 TYR A 62 30.513 20.664 -3.610 1.00 53.43 H new ATOM 0 HB3 TYR A 62 28.844 20.605 -3.081 1.00 53.43 H new ATOM 0 HD1 TYR A 62 31.776 22.954 -3.018 1.00 53.04 H new ATOM 0 HD2 TYR A 62 27.546 22.536 -3.317 1.00 73.31 H new ATOM 0 HE1 TYR A 62 31.566 25.369 -3.414 1.00 33.41 H new ATOM 0 HE2 TYR A 62 27.333 24.948 -3.718 1.00 3.32 H new ATOM 0 HH TYR A 62 28.374 26.886 -3.932 1.00 45.22 H new ATOM 1045 N HIS A 63 28.491 21.250 0.091 1.00 63.32 N ATOM 1046 CA HIS A 63 27.772 22.056 1.070 1.00 14.30 C ATOM 1047 C HIS A 63 28.581 22.201 2.355 1.00 21.42 C ATOM 1048 O HIS A 63 28.398 23.153 3.114 1.00 75.13 O ATOM 1049 CB HIS A 63 26.412 21.429 1.378 1.00 55.52 C ATOM 1050 CG HIS A 63 25.518 21.320 0.181 1.00 71.31 C ATOM 1051 ND1 HIS A 63 24.515 20.379 0.074 1.00 2.20 N ATOM 1052 CD2 HIS A 63 25.479 22.040 -0.964 1.00 43.42 C ATOM 1053 CE1 HIS A 63 23.900 20.525 -1.086 1.00 15.13 C ATOM 1054 NE2 HIS A 63 24.465 21.527 -1.735 1.00 22.24 N ATOM 0 H HIS A 63 28.057 20.350 -0.115 1.00 63.32 H new ATOM 0 HA HIS A 63 27.619 23.048 0.645 1.00 14.30 H new ATOM 0 HB2 HIS A 63 26.566 20.435 1.798 1.00 55.52 H new ATOM 0 HB3 HIS A 63 25.912 22.024 2.142 1.00 55.52 H new ATOM 0 HD2 HIS A 63 26.126 22.865 -1.223 1.00 43.42 H new ATOM 0 HE1 HIS A 63 23.075 19.926 -1.443 1.00 15.13 H new ATOM 0 HE2 HIS A 63 24.193 21.865 -2.658 1.00 22.24 H new ATOM 1062 N LYS A 64 29.477 21.249 2.594 1.00 31.15 N ATOM 1063 CA LYS A 64 30.315 21.269 3.787 1.00 4.12 C ATOM 1064 C LYS A 64 31.542 22.151 3.575 1.00 32.12 C ATOM 1065 O LYS A 64 32.101 22.693 4.529 1.00 71.52 O ATOM 1066 CB LYS A 64 30.752 19.849 4.153 1.00 64.35 C ATOM 1067 CG LYS A 64 29.989 19.260 5.326 1.00 14.31 C ATOM 1068 CD LYS A 64 30.909 18.966 6.499 1.00 73.41 C ATOM 1069 CE LYS A 64 31.457 20.245 7.112 1.00 23.11 C ATOM 1070 NZ LYS A 64 30.415 20.985 7.877 1.00 64.41 N ATOM 0 H LYS A 64 29.641 20.454 1.977 1.00 31.15 H new ATOM 0 HA LYS A 64 29.728 21.684 4.606 1.00 4.12 H new ATOM 0 HB2 LYS A 64 30.622 19.203 3.285 1.00 64.35 H new ATOM 0 HB3 LYS A 64 31.816 19.855 4.389 1.00 64.35 H new ATOM 0 HG2 LYS A 64 29.209 19.954 5.639 1.00 14.31 H new ATOM 0 HG3 LYS A 64 29.492 18.342 5.013 1.00 14.31 H new ATOM 0 HD2 LYS A 64 30.365 18.402 7.257 1.00 73.41 H new ATOM 0 HD3 LYS A 64 31.735 18.338 6.166 1.00 73.41 H new ATOM 0 HE2 LYS A 64 32.289 20.003 7.773 1.00 23.11 H new ATOM 0 HE3 LYS A 64 31.852 20.885 6.323 1.00 23.11 H new ATOM 0 HZ1 LYS A 64 30.872 21.664 8.519 1.00 64.41 H new ATOM 0 HZ2 LYS A 64 29.796 21.496 7.216 1.00 64.41 H new ATOM 0 HZ3 LYS A 64 29.848 20.312 8.432 1.00 64.41 H new ATOM 1084 N SER A 65 31.954 22.292 2.319 1.00 21.44 N ATOM 1085 CA SER A 65 33.116 23.106 1.983 1.00 51.10 C ATOM 1086 C SER A 65 32.873 24.571 2.335 1.00 22.52 C ATOM 1087 O SER A 65 33.661 25.186 3.055 1.00 73.24 O ATOM 1088 CB SER A 65 33.443 22.975 0.494 1.00 10.32 C ATOM 1089 OG SER A 65 32.979 21.740 -0.023 1.00 40.44 O ATOM 0 H SER A 65 31.500 21.853 1.518 1.00 21.44 H new ATOM 0 HA SER A 65 33.963 22.746 2.567 1.00 51.10 H new ATOM 0 HB2 SER A 65 32.986 23.798 -0.056 1.00 10.32 H new ATOM 0 HB3 SER A 65 34.520 23.053 0.347 1.00 10.32 H new ATOM 0 HG SER A 65 33.334 21.610 -0.927 1.00 40.44 H new ATOM 1095 N ILE A 66 31.778 25.122 1.823 1.00 21.11 N ATOM 1096 CA ILE A 66 31.430 26.513 2.084 1.00 44.21 C ATOM 1097 C ILE A 66 30.678 26.654 3.403 1.00 73.14 C ATOM 1098 O ILE A 66 30.356 27.763 3.830 1.00 32.41 O ATOM 1099 CB ILE A 66 30.570 27.101 0.950 1.00 62.35 C ATOM 1100 CG1 ILE A 66 29.096 26.754 1.166 1.00 32.21 C ATOM 1101 CG2 ILE A 66 31.049 26.585 -0.399 1.00 74.04 C ATOM 1102 CD1 ILE A 66 28.820 25.267 1.176 1.00 60.54 C ATOM 0 H ILE A 66 31.117 24.627 1.225 1.00 21.11 H new ATOM 0 HA ILE A 66 32.367 27.067 2.142 1.00 44.21 H new ATOM 0 HB ILE A 66 30.673 28.186 0.960 1.00 62.35 H new ATOM 0 HG12 ILE A 66 28.765 27.183 2.112 1.00 32.21 H new ATOM 0 HG13 ILE A 66 28.502 27.220 0.380 1.00 32.21 H new ATOM 0 HG21 ILE A 66 30.432 27.009 -1.191 1.00 74.04 H new ATOM 0 HG22 ILE A 66 32.088 26.878 -0.553 1.00 74.04 H new ATOM 0 HG23 ILE A 66 30.971 25.498 -0.421 1.00 74.04 H new ATOM 0 HD11 ILE A 66 27.755 25.096 1.334 1.00 60.54 H new ATOM 0 HD12 ILE A 66 29.120 24.835 0.221 1.00 60.54 H new ATOM 0 HD13 ILE A 66 29.386 24.797 1.980 1.00 60.54 H new ATOM 1114 N ARG A 67 30.402 25.523 4.044 1.00 73.14 N ATOM 1115 CA ARG A 67 29.687 25.520 5.315 1.00 63.25 C ATOM 1116 C ARG A 67 30.324 26.497 6.298 1.00 12.14 C ATOM 1117 O ARG A 67 29.626 27.197 7.033 1.00 4.14 O ATOM 1118 CB ARG A 67 29.675 24.112 5.913 1.00 12.14 C ATOM 1119 CG ARG A 67 29.048 24.044 7.296 1.00 11.24 C ATOM 1120 CD ARG A 67 30.090 24.221 8.390 1.00 52.23 C ATOM 1121 NE ARG A 67 29.664 23.626 9.653 1.00 30.53 N ATOM 1122 CZ ARG A 67 30.335 23.760 10.792 1.00 34.20 C ATOM 1123 NH1 ARG A 67 31.456 24.466 10.825 1.00 23.13 N ATOM 1124 NH2 ARG A 67 29.883 23.188 11.901 1.00 60.32 N ATOM 0 H ARG A 67 30.662 24.597 3.704 1.00 73.14 H new ATOM 0 HA ARG A 67 28.661 25.837 5.128 1.00 63.25 H new ATOM 0 HB2 ARG A 67 29.131 23.446 5.243 1.00 12.14 H new ATOM 0 HB3 ARG A 67 30.698 23.741 5.968 1.00 12.14 H new ATOM 0 HG2 ARG A 67 28.286 24.818 7.389 1.00 11.24 H new ATOM 0 HG3 ARG A 67 28.546 23.085 7.422 1.00 11.24 H new ATOM 0 HD2 ARG A 67 31.029 23.766 8.073 1.00 52.23 H new ATOM 0 HD3 ARG A 67 30.284 25.283 8.537 1.00 52.23 H new ATOM 0 HE ARG A 67 28.804 23.077 9.662 1.00 30.53 H new ATOM 0 HH11 ARG A 67 31.806 24.908 9.975 1.00 23.13 H new ATOM 0 HH12 ARG A 67 31.969 24.567 11.701 1.00 23.13 H new ATOM 0 HH21 ARG A 67 29.020 22.645 11.879 1.00 60.32 H new ATOM 0 HH22 ARG A 67 30.399 23.291 12.775 1.00 60.32 H new ATOM 1138 N HIS A 68 31.652 26.539 6.307 1.00 4.11 N ATOM 1139 CA HIS A 68 32.383 27.431 7.201 1.00 63.43 C ATOM 1140 C HIS A 68 31.872 28.863 7.077 1.00 71.31 C ATOM 1141 O HIS A 68 31.853 29.613 8.054 1.00 45.14 O ATOM 1142 CB HIS A 68 33.880 27.383 6.891 1.00 31.43 C ATOM 1143 CG HIS A 68 34.644 26.445 7.774 1.00 3.14 C ATOM 1144 ND1 HIS A 68 34.901 26.705 9.104 1.00 31.52 N ATOM 1145 CD2 HIS A 68 35.208 25.243 7.512 1.00 74.43 C ATOM 1146 CE1 HIS A 68 35.590 25.703 9.621 1.00 45.22 C ATOM 1147 NE2 HIS A 68 35.789 24.803 8.675 1.00 24.32 N ATOM 0 H HIS A 68 32.244 25.966 5.706 1.00 4.11 H new ATOM 0 HA HIS A 68 32.220 27.093 8.224 1.00 63.43 H new ATOM 0 HB2 HIS A 68 34.018 27.085 5.852 1.00 31.43 H new ATOM 0 HB3 HIS A 68 34.296 28.385 6.993 1.00 31.43 H new ATOM 0 HD2 HIS A 68 35.202 24.726 6.564 1.00 74.43 H new ATOM 0 HE1 HIS A 68 35.932 25.632 10.643 1.00 45.22 H new ATOM 0 HE2 HIS A 68 36.293 23.924 8.790 1.00 24.32 H new ATOM 1155 N LEU A 69 31.458 29.236 5.871 1.00 63.21 N ATOM 1156 CA LEU A 69 30.947 30.579 5.619 1.00 61.31 C ATOM 1157 C LEU A 69 29.485 30.693 6.040 1.00 64.33 C ATOM 1158 O LEU A 69 29.027 31.761 6.445 1.00 43.12 O ATOM 1159 CB LEU A 69 31.092 30.931 4.138 1.00 42.35 C ATOM 1160 CG LEU A 69 32.510 30.868 3.568 1.00 10.54 C ATOM 1161 CD1 LEU A 69 32.475 30.556 2.081 1.00 74.45 C ATOM 1162 CD2 LEU A 69 33.245 32.176 3.823 1.00 42.32 C ATOM 0 H LEU A 69 31.466 28.628 5.052 1.00 63.21 H new ATOM 0 HA LEU A 69 31.533 31.281 6.212 1.00 61.31 H new ATOM 0 HB2 LEU A 69 30.460 30.256 3.561 1.00 42.35 H new ATOM 0 HB3 LEU A 69 30.705 31.938 3.985 1.00 42.35 H new ATOM 0 HG LEU A 69 33.049 30.066 4.073 1.00 10.54 H new ATOM 0 HD11 LEU A 69 33.493 30.515 1.694 1.00 74.45 H new ATOM 0 HD12 LEU A 69 31.988 29.594 1.922 1.00 74.45 H new ATOM 0 HD13 LEU A 69 31.919 31.335 1.559 1.00 74.45 H new ATOM 0 HD21 LEU A 69 34.252 32.114 3.411 1.00 42.32 H new ATOM 0 HD22 LEU A 69 32.707 32.995 3.345 1.00 42.32 H new ATOM 0 HD23 LEU A 69 33.303 32.358 4.896 1.00 42.32 H new ATOM 1174 N ARG A 70 28.759 29.584 5.943 1.00 51.03 N ATOM 1175 CA ARG A 70 27.349 29.559 6.314 1.00 3.41 C ATOM 1176 C ARG A 70 27.187 29.530 7.831 1.00 22.21 C ATOM 1177 O ARG A 70 26.163 29.953 8.365 1.00 54.05 O ATOM 1178 CB ARG A 70 26.657 28.345 5.693 1.00 64.42 C ATOM 1179 CG ARG A 70 26.990 28.139 4.224 1.00 50.40 C ATOM 1180 CD ARG A 70 26.348 26.873 3.679 1.00 0.11 C ATOM 1181 NE ARG A 70 24.917 26.819 3.963 1.00 15.33 N ATOM 1182 CZ ARG A 70 24.203 25.699 3.933 1.00 11.31 C ATOM 1183 NH1 ARG A 70 24.785 24.546 3.633 1.00 10.34 N ATOM 1184 NH2 ARG A 70 22.904 25.731 4.204 1.00 43.13 N ATOM 0 H ARG A 70 29.124 28.691 5.611 1.00 51.03 H new ATOM 0 HA ARG A 70 26.883 30.468 5.933 1.00 3.41 H new ATOM 0 HB2 ARG A 70 26.940 27.452 6.250 1.00 64.42 H new ATOM 0 HB3 ARG A 70 25.578 28.458 5.800 1.00 64.42 H new ATOM 0 HG2 ARG A 70 26.647 28.999 3.648 1.00 50.40 H new ATOM 0 HG3 ARG A 70 28.071 28.082 4.099 1.00 50.40 H new ATOM 0 HD2 ARG A 70 26.506 26.821 2.602 1.00 0.11 H new ATOM 0 HD3 ARG A 70 26.837 26.002 4.115 1.00 0.11 H new ATOM 0 HE ARG A 70 24.439 27.689 4.197 1.00 15.33 H new ATOM 0 HH11 ARG A 70 25.783 24.518 3.425 1.00 10.34 H new ATOM 0 HH12 ARG A 70 24.235 23.688 3.611 1.00 10.34 H new ATOM 0 HH21 ARG A 70 22.453 26.616 4.436 1.00 43.13 H new ATOM 0 HH22 ARG A 70 22.357 24.871 4.181 1.00 43.13 H new ATOM 1198 N GLY A 71 28.207 29.026 8.520 1.00 15.05 N ATOM 1199 CA GLY A 71 28.157 28.950 9.969 1.00 70.01 C ATOM 1200 C GLY A 71 27.803 30.278 10.607 1.00 12.34 C ATOM 1201 O GLY A 71 27.224 30.319 11.692 1.00 24.25 O ATOM 0 H GLY A 71 29.066 28.669 8.101 1.00 15.05 H new ATOM 0 HA2 GLY A 71 27.423 28.201 10.265 1.00 70.01 H new ATOM 0 HA3 GLY A 71 29.124 28.616 10.346 1.00 70.01 H new ATOM 1205 N GLY A 72 28.152 31.370 9.933 1.00 64.41 N ATOM 1206 CA GLY A 72 27.861 32.691 10.457 1.00 21.05 C ATOM 1207 C GLY A 72 26.404 32.854 10.841 1.00 12.12 C ATOM 1208 O GLY A 72 26.075 33.633 11.735 1.00 52.20 O ATOM 0 H GLY A 72 28.631 31.363 9.033 1.00 64.41 H new ATOM 0 HA2 GLY A 72 28.487 32.878 11.330 1.00 21.05 H new ATOM 0 HA3 GLY A 72 28.123 33.441 9.710 1.00 21.05 H new ATOM 1212 N GLU A 73 25.529 32.119 10.163 1.00 72.53 N ATOM 1213 CA GLU A 73 24.098 32.188 10.437 1.00 42.23 C ATOM 1214 C GLU A 73 23.718 31.259 11.586 1.00 65.43 C ATOM 1215 O GLU A 73 22.972 31.641 12.487 1.00 63.35 O ATOM 1216 CB GLU A 73 23.298 31.823 9.185 1.00 62.33 C ATOM 1217 CG GLU A 73 23.865 32.416 7.906 1.00 74.03 C ATOM 1218 CD GLU A 73 23.825 33.932 7.898 1.00 21.23 C ATOM 1219 OE1 GLU A 73 23.199 34.514 8.809 1.00 45.14 O ATOM 1220 OE2 GLU A 73 24.421 34.536 6.982 1.00 73.35 O ATOM 0 H GLU A 73 25.785 31.469 9.420 1.00 72.53 H new ATOM 0 HA GLU A 73 23.859 33.211 10.726 1.00 42.23 H new ATOM 0 HB2 GLU A 73 23.265 30.738 9.089 1.00 62.33 H new ATOM 0 HB3 GLU A 73 22.270 32.164 9.309 1.00 62.33 H new ATOM 0 HG2 GLU A 73 24.895 32.083 7.781 1.00 74.03 H new ATOM 0 HG3 GLU A 73 23.302 32.037 7.053 1.00 74.03 H new ATOM 1227 N ALA A 74 24.237 30.036 11.546 1.00 65.31 N ATOM 1228 CA ALA A 74 23.955 29.052 12.583 1.00 32.34 C ATOM 1229 C ALA A 74 24.329 29.585 13.962 1.00 32.12 C ATOM 1230 O ALA A 74 23.795 29.138 14.978 1.00 1.34 O ATOM 1231 CB ALA A 74 24.698 27.755 12.297 1.00 14.04 C ATOM 0 H ALA A 74 24.855 29.703 10.806 1.00 65.31 H new ATOM 0 HA ALA A 74 22.883 28.853 12.578 1.00 32.34 H new ATOM 0 HB1 ALA A 74 24.478 27.029 13.080 1.00 14.04 H new ATOM 0 HB2 ALA A 74 24.379 27.358 11.334 1.00 14.04 H new ATOM 0 HB3 ALA A 74 25.771 27.948 12.272 1.00 14.04 H new ATOM 1237 N THR A 75 25.250 30.543 13.991 1.00 23.35 N ATOM 1238 CA THR A 75 25.697 31.135 15.246 1.00 41.43 C ATOM 1239 C THR A 75 24.565 31.893 15.930 1.00 31.52 C ATOM 1240 O THR A 75 24.259 31.651 17.098 1.00 5.12 O ATOM 1241 CB THR A 75 26.881 32.096 15.023 1.00 74.20 C ATOM 1242 OG1 THR A 75 27.611 31.710 13.854 1.00 64.14 O ATOM 1243 CG2 THR A 75 27.808 32.100 16.229 1.00 64.05 C ATOM 0 H THR A 75 25.701 30.925 13.160 1.00 23.35 H new ATOM 0 HA THR A 75 26.020 30.314 15.886 1.00 41.43 H new ATOM 0 HB THR A 75 26.484 33.102 14.887 1.00 74.20 H new ATOM 0 HG1 THR A 75 28.361 32.326 13.718 1.00 64.14 H new ATOM 0 HG21 THR A 75 28.636 32.785 16.049 1.00 64.05 H new ATOM 0 HG22 THR A 75 27.255 32.422 17.112 1.00 64.05 H new ATOM 0 HG23 THR A 75 28.197 31.095 16.392 1.00 64.05 H new ATOM 1251 N LYS A 76 23.944 32.810 15.196 1.00 20.40 N ATOM 1252 CA LYS A 76 22.843 33.602 15.731 1.00 21.21 C ATOM 1253 C LYS A 76 21.541 32.808 15.708 1.00 15.44 C ATOM 1254 O LYS A 76 20.670 33.000 16.559 1.00 61.13 O ATOM 1255 CB LYS A 76 22.680 34.894 14.927 1.00 33.14 C ATOM 1256 CG LYS A 76 23.972 35.675 14.762 1.00 32.12 C ATOM 1257 CD LYS A 76 24.502 36.164 16.099 1.00 4.52 C ATOM 1258 CE LYS A 76 25.646 37.151 15.918 1.00 54.23 C ATOM 1259 NZ LYS A 76 25.167 38.561 15.921 1.00 50.32 N ATOM 0 H LYS A 76 24.185 33.023 14.228 1.00 20.40 H new ATOM 0 HA LYS A 76 23.077 33.852 16.766 1.00 21.21 H new ATOM 0 HB2 LYS A 76 22.284 34.651 13.941 1.00 33.14 H new ATOM 0 HB3 LYS A 76 21.943 35.528 15.419 1.00 33.14 H new ATOM 0 HG2 LYS A 76 24.720 35.045 14.281 1.00 32.12 H new ATOM 0 HG3 LYS A 76 23.802 36.527 14.103 1.00 32.12 H new ATOM 0 HD2 LYS A 76 23.696 36.638 16.660 1.00 4.52 H new ATOM 0 HD3 LYS A 76 24.844 35.314 16.689 1.00 4.52 H new ATOM 0 HE2 LYS A 76 26.375 37.013 16.717 1.00 54.23 H new ATOM 0 HE3 LYS A 76 26.159 36.944 14.979 1.00 54.23 H new ATOM 0 HZ1 LYS A 76 25.976 39.203 15.795 1.00 50.32 H new ATOM 0 HZ2 LYS A 76 24.491 38.700 15.143 1.00 50.32 H new ATOM 0 HZ3 LYS A 76 24.699 38.767 16.827 1.00 50.32 H new ATOM 1273 N LEU A 77 21.413 31.917 14.732 1.00 24.40 N ATOM 1274 CA LEU A 77 20.217 31.092 14.600 1.00 41.22 C ATOM 1275 C LEU A 77 19.994 30.251 15.853 1.00 42.14 C ATOM 1276 O LEU A 77 18.860 29.916 16.195 1.00 1.12 O ATOM 1277 CB LEU A 77 20.333 30.183 13.375 1.00 23.12 C ATOM 1278 CG LEU A 77 20.135 30.857 12.017 1.00 11.32 C ATOM 1279 CD1 LEU A 77 20.591 29.940 10.894 1.00 65.42 C ATOM 1280 CD2 LEU A 77 18.678 31.253 11.826 1.00 1.32 C ATOM 0 H LEU A 77 22.123 31.747 14.020 1.00 24.40 H new ATOM 0 HA LEU A 77 19.361 31.755 14.473 1.00 41.22 H new ATOM 0 HB2 LEU A 77 21.318 29.716 13.386 1.00 23.12 H new ATOM 0 HB3 LEU A 77 19.600 29.382 13.471 1.00 23.12 H new ATOM 0 HG LEU A 77 20.744 31.761 11.990 1.00 11.32 H new ATOM 0 HD11 LEU A 77 20.442 30.437 9.935 1.00 65.42 H new ATOM 0 HD12 LEU A 77 21.648 29.706 11.022 1.00 65.42 H new ATOM 0 HD13 LEU A 77 20.010 29.018 10.919 1.00 65.42 H new ATOM 0 HD21 LEU A 77 18.555 31.731 10.854 1.00 1.32 H new ATOM 0 HD22 LEU A 77 18.050 30.364 11.875 1.00 1.32 H new ATOM 0 HD23 LEU A 77 18.384 31.948 12.612 1.00 1.32 H new ATOM 1292 N LYS A 78 21.084 29.914 16.534 1.00 12.44 N ATOM 1293 CA LYS A 78 21.009 29.116 17.752 1.00 73.52 C ATOM 1294 C LYS A 78 20.216 29.844 18.832 1.00 34.34 C ATOM 1295 O LYS A 78 19.657 29.218 19.734 1.00 4.10 O ATOM 1296 CB LYS A 78 22.415 28.796 18.264 1.00 11.13 C ATOM 1297 CG LYS A 78 23.015 29.897 19.121 1.00 13.43 C ATOM 1298 CD LYS A 78 24.520 29.743 19.254 1.00 24.23 C ATOM 1299 CE LYS A 78 24.886 28.795 20.386 1.00 35.32 C ATOM 1300 NZ LYS A 78 26.360 28.644 20.530 1.00 41.03 N ATOM 0 H LYS A 78 22.030 30.181 16.263 1.00 12.44 H new ATOM 0 HA LYS A 78 20.495 28.185 17.515 1.00 73.52 H new ATOM 0 HB2 LYS A 78 22.380 27.874 18.844 1.00 11.13 H new ATOM 0 HB3 LYS A 78 23.070 28.612 17.412 1.00 11.13 H new ATOM 0 HG2 LYS A 78 22.785 30.868 18.681 1.00 13.43 H new ATOM 0 HG3 LYS A 78 22.558 29.879 20.110 1.00 13.43 H new ATOM 0 HD2 LYS A 78 24.933 29.369 18.317 1.00 24.23 H new ATOM 0 HD3 LYS A 78 24.972 30.718 19.434 1.00 24.23 H new ATOM 0 HE2 LYS A 78 24.466 29.167 21.321 1.00 35.32 H new ATOM 0 HE3 LYS A 78 24.438 27.819 20.201 1.00 35.32 H new ATOM 0 HZ1 LYS A 78 26.567 27.990 21.312 1.00 41.03 H new ATOM 0 HZ2 LYS A 78 26.758 28.265 19.647 1.00 41.03 H new ATOM 0 HZ3 LYS A 78 26.786 29.571 20.732 1.00 41.03 H new ATOM 1314 N TYR A 79 20.169 31.168 18.735 1.00 70.55 N ATOM 1315 CA TYR A 79 19.445 31.981 19.704 1.00 33.53 C ATOM 1316 C TYR A 79 17.975 32.111 19.317 1.00 70.24 C ATOM 1317 O TYR A 79 17.117 32.365 20.162 1.00 20.44 O ATOM 1318 CB TYR A 79 20.080 33.368 19.814 1.00 73.23 C ATOM 1319 CG TYR A 79 21.422 33.366 20.509 1.00 44.00 C ATOM 1320 CD1 TYR A 79 22.598 33.187 19.791 1.00 63.44 C ATOM 1321 CD2 TYR A 79 21.515 33.543 21.884 1.00 63.21 C ATOM 1322 CE1 TYR A 79 23.827 33.184 20.422 1.00 63.55 C ATOM 1323 CE2 TYR A 79 22.740 33.543 22.523 1.00 60.41 C ATOM 1324 CZ TYR A 79 23.893 33.362 21.788 1.00 50.44 C ATOM 1325 OH TYR A 79 25.115 33.360 22.421 1.00 52.23 O ATOM 0 H TYR A 79 20.624 31.701 17.994 1.00 70.55 H new ATOM 0 HA TYR A 79 19.504 31.484 20.672 1.00 33.53 H new ATOM 0 HB2 TYR A 79 20.199 33.784 18.814 1.00 73.23 H new ATOM 0 HB3 TYR A 79 19.401 34.027 20.355 1.00 73.23 H new ATOM 0 HD1 TYR A 79 22.551 33.048 18.721 1.00 63.44 H new ATOM 0 HD2 TYR A 79 20.614 33.683 22.463 1.00 63.21 H new ATOM 0 HE1 TYR A 79 24.731 33.043 19.849 1.00 63.55 H new ATOM 0 HE2 TYR A 79 22.794 33.684 23.592 1.00 60.41 H new ATOM 0 HH TYR A 79 24.986 33.499 23.382 1.00 52.23 H new ATOM 1335 N LYS A 80 17.691 31.935 18.030 1.00 24.55 N ATOM 1336 CA LYS A 80 16.326 32.030 17.527 1.00 22.35 C ATOM 1337 C LYS A 80 15.532 30.772 17.867 1.00 3.31 C ATOM 1338 O LYS A 80 14.685 30.782 18.761 1.00 43.54 O ATOM 1339 CB LYS A 80 16.333 32.248 16.013 1.00 71.22 C ATOM 1340 CG LYS A 80 16.598 33.687 15.607 1.00 40.23 C ATOM 1341 CD LYS A 80 17.726 33.782 14.592 1.00 35.24 C ATOM 1342 CE LYS A 80 17.517 34.945 13.635 1.00 64.14 C ATOM 1343 NZ LYS A 80 17.503 34.498 12.214 1.00 22.12 N ATOM 0 H LYS A 80 18.389 31.726 17.316 1.00 24.55 H new ATOM 0 HA LYS A 80 15.846 32.882 18.008 1.00 22.35 H new ATOM 0 HB2 LYS A 80 17.093 31.607 15.566 1.00 71.22 H new ATOM 0 HB3 LYS A 80 15.372 31.935 15.605 1.00 71.22 H new ATOM 0 HG2 LYS A 80 15.691 34.120 15.186 1.00 40.23 H new ATOM 0 HG3 LYS A 80 16.851 34.274 16.490 1.00 40.23 H new ATOM 0 HD2 LYS A 80 18.676 33.904 15.112 1.00 35.24 H new ATOM 0 HD3 LYS A 80 17.789 32.852 14.028 1.00 35.24 H new ATOM 0 HE2 LYS A 80 16.576 35.443 13.868 1.00 64.14 H new ATOM 0 HE3 LYS A 80 18.310 35.679 13.777 1.00 64.14 H new ATOM 0 HZ1 LYS A 80 17.358 35.320 11.593 1.00 22.12 H new ATOM 0 HZ2 LYS A 80 18.411 34.045 11.983 1.00 22.12 H new ATOM 0 HZ3 LYS A 80 16.730 33.816 12.072 1.00 22.12 H new ATOM 1357 N LYS A 81 15.812 29.690 17.150 1.00 63.54 N ATOM 1358 CA LYS A 81 15.127 28.423 17.376 1.00 31.31 C ATOM 1359 C LYS A 81 15.989 27.479 18.208 1.00 30.14 C ATOM 1360 O LYS A 81 15.474 26.598 18.897 1.00 23.23 O ATOM 1361 CB LYS A 81 14.774 27.764 16.041 1.00 43.15 C ATOM 1362 CG LYS A 81 13.959 28.655 15.120 1.00 75.03 C ATOM 1363 CD LYS A 81 12.496 28.691 15.531 1.00 40.15 C ATOM 1364 CE LYS A 81 11.588 28.229 14.401 1.00 22.00 C ATOM 1365 NZ LYS A 81 10.174 28.091 14.847 1.00 2.11 N ATOM 0 H LYS A 81 16.510 29.665 16.406 1.00 63.54 H new ATOM 0 HA LYS A 81 14.209 28.629 17.926 1.00 31.31 H new ATOM 0 HB2 LYS A 81 15.694 27.476 15.533 1.00 43.15 H new ATOM 0 HB3 LYS A 81 14.216 26.848 16.234 1.00 43.15 H new ATOM 0 HG2 LYS A 81 14.367 29.666 15.135 1.00 75.03 H new ATOM 0 HG3 LYS A 81 14.041 28.293 14.095 1.00 75.03 H new ATOM 0 HD2 LYS A 81 12.346 28.054 16.403 1.00 40.15 H new ATOM 0 HD3 LYS A 81 12.225 29.705 15.826 1.00 40.15 H new ATOM 0 HE2 LYS A 81 11.641 28.942 13.578 1.00 22.00 H new ATOM 0 HE3 LYS A 81 11.943 27.272 14.018 1.00 22.00 H new ATOM 0 HZ1 LYS A 81 9.587 27.775 14.049 1.00 2.11 H new ATOM 0 HZ2 LYS A 81 10.119 27.392 15.615 1.00 2.11 H new ATOM 0 HZ3 LYS A 81 9.827 29.010 15.189 1.00 2.11 H new ATOM 1379 N ASP A 82 17.302 27.670 18.141 1.00 72.00 N ATOM 1380 CA ASP A 82 18.235 26.837 18.891 1.00 42.23 C ATOM 1381 C ASP A 82 18.131 25.378 18.457 1.00 43.43 C ATOM 1382 O ASP A 82 17.174 24.986 17.790 1.00 10.44 O ATOM 1383 CB ASP A 82 17.966 26.956 20.392 1.00 51.25 C ATOM 1384 CG ASP A 82 19.061 26.325 21.228 1.00 4.01 C ATOM 1385 OD1 ASP A 82 20.195 26.849 21.214 1.00 15.32 O ATOM 1386 OD2 ASP A 82 18.786 25.306 21.896 1.00 10.22 O ATOM 0 H ASP A 82 17.744 28.394 17.575 1.00 72.00 H new ATOM 0 HA ASP A 82 19.245 27.188 18.682 1.00 42.23 H new ATOM 0 HB2 ASP A 82 17.870 28.009 20.659 1.00 51.25 H new ATOM 0 HB3 ASP A 82 17.014 26.480 20.626 1.00 51.25 H new ATOM 1391 N GLU A 83 19.124 24.580 18.839 1.00 53.55 N ATOM 1392 CA GLU A 83 19.144 23.166 18.487 1.00 73.54 C ATOM 1393 C GLU A 83 18.487 22.324 19.577 1.00 11.34 C ATOM 1394 O GLU A 83 18.180 22.824 20.660 1.00 34.52 O ATOM 1395 CB GLU A 83 20.582 22.694 18.260 1.00 74.11 C ATOM 1396 CG GLU A 83 21.448 22.762 19.506 1.00 21.32 C ATOM 1397 CD GLU A 83 22.363 21.560 19.647 1.00 52.52 C ATOM 1398 OE1 GLU A 83 22.778 21.007 18.607 1.00 2.01 O ATOM 1399 OE2 GLU A 83 22.663 21.174 20.795 1.00 32.25 O ATOM 0 H GLU A 83 19.924 24.889 19.392 1.00 53.55 H new ATOM 0 HA GLU A 83 18.578 23.040 17.564 1.00 73.54 H new ATOM 0 HB2 GLU A 83 20.565 21.667 17.895 1.00 74.11 H new ATOM 0 HB3 GLU A 83 21.036 23.303 17.478 1.00 74.11 H new ATOM 0 HG2 GLU A 83 22.050 23.670 19.477 1.00 21.32 H new ATOM 0 HG3 GLU A 83 20.808 22.832 20.385 1.00 21.32 H new ATOM 1406 N ILE A 84 18.275 21.046 19.283 1.00 14.11 N ATOM 1407 CA ILE A 84 17.655 20.136 20.238 1.00 62.40 C ATOM 1408 C ILE A 84 18.379 18.794 20.267 1.00 32.40 C ATOM 1409 O ILE A 84 17.833 17.772 19.846 1.00 5.45 O ATOM 1410 CB ILE A 84 16.170 19.898 19.907 1.00 11.02 C ATOM 1411 CG1 ILE A 84 15.444 21.233 19.732 1.00 50.50 C ATOM 1412 CG2 ILE A 84 15.510 19.070 20.999 1.00 30.44 C ATOM 1413 CD1 ILE A 84 15.400 22.067 20.993 1.00 14.23 C ATOM 0 H ILE A 84 18.523 20.617 18.391 1.00 14.11 H new ATOM 0 HA ILE A 84 17.729 20.608 21.218 1.00 62.40 H new ATOM 0 HB ILE A 84 16.106 19.345 18.970 1.00 11.02 H new ATOM 0 HG12 ILE A 84 15.936 21.805 18.945 1.00 50.50 H new ATOM 0 HG13 ILE A 84 14.425 21.042 19.397 1.00 50.50 H new ATOM 0 HG21 ILE A 84 14.461 18.910 20.751 1.00 30.44 H new ATOM 0 HG22 ILE A 84 16.014 18.107 21.080 1.00 30.44 H new ATOM 0 HG23 ILE A 84 15.581 19.598 21.950 1.00 30.44 H new ATOM 0 HD11 ILE A 84 14.870 22.999 20.795 1.00 14.23 H new ATOM 0 HD12 ILE A 84 14.881 21.515 21.777 1.00 14.23 H new ATOM 0 HD13 ILE A 84 16.416 22.289 21.318 1.00 14.23 H new ATOM 1425 N LEU A 85 19.609 18.802 20.768 1.00 43.25 N ATOM 1426 CA LEU A 85 20.409 17.585 20.854 1.00 74.11 C ATOM 1427 C LEU A 85 21.004 17.422 22.249 1.00 42.42 C ATOM 1428 O LEU A 85 20.705 18.199 23.155 1.00 22.44 O ATOM 1429 CB LEU A 85 21.526 17.610 19.810 1.00 60.34 C ATOM 1430 CG LEU A 85 21.855 16.272 19.147 1.00 61.42 C ATOM 1431 CD1 LEU A 85 21.310 16.230 17.728 1.00 55.32 C ATOM 1432 CD2 LEU A 85 23.358 16.030 19.150 1.00 54.33 C ATOM 0 H LEU A 85 20.075 19.638 21.121 1.00 43.25 H new ATOM 0 HA LEU A 85 19.755 16.735 20.657 1.00 74.11 H new ATOM 0 HB2 LEU A 85 21.252 18.321 19.031 1.00 60.34 H new ATOM 0 HB3 LEU A 85 22.431 17.990 20.284 1.00 60.34 H new ATOM 0 HG LEU A 85 21.378 15.478 19.721 1.00 61.42 H new ATOM 0 HD11 LEU A 85 21.554 15.270 17.273 1.00 55.32 H new ATOM 0 HD12 LEU A 85 20.228 16.356 17.750 1.00 55.32 H new ATOM 0 HD13 LEU A 85 21.757 17.033 17.143 1.00 55.32 H new ATOM 0 HD21 LEU A 85 23.573 15.073 18.674 1.00 54.33 H new ATOM 0 HD22 LEU A 85 23.856 16.829 18.601 1.00 54.33 H new ATOM 0 HD23 LEU A 85 23.722 16.014 20.177 1.00 54.33 H new ATOM 1444 N GLU A 86 21.850 16.409 22.411 1.00 14.44 N ATOM 1445 CA GLU A 86 22.488 16.147 23.696 1.00 61.12 C ATOM 1446 C GLU A 86 23.724 17.023 23.878 1.00 64.31 C ATOM 1447 O GLU A 86 24.616 17.040 23.031 1.00 43.43 O ATOM 1448 CB GLU A 86 22.875 14.671 23.806 1.00 34.50 C ATOM 1449 CG GLU A 86 21.775 13.795 24.384 1.00 44.02 C ATOM 1450 CD GLU A 86 22.320 12.619 25.171 1.00 74.31 C ATOM 1451 OE1 GLU A 86 22.828 11.667 24.542 1.00 52.42 O ATOM 1452 OE2 GLU A 86 22.237 12.650 26.417 1.00 41.23 O ATOM 0 H GLU A 86 22.109 15.758 21.670 1.00 14.44 H new ATOM 0 HA GLU A 86 21.774 16.388 24.484 1.00 61.12 H new ATOM 0 HB2 GLU A 86 23.142 14.299 22.817 1.00 34.50 H new ATOM 0 HB3 GLU A 86 23.764 14.583 24.430 1.00 34.50 H new ATOM 0 HG2 GLU A 86 21.138 14.398 25.032 1.00 44.02 H new ATOM 0 HG3 GLU A 86 21.146 13.425 23.574 1.00 44.02 H new ATOM 1459 N GLY A 87 23.769 17.749 24.991 1.00 43.34 N ATOM 1460 CA GLY A 87 24.899 18.618 25.264 1.00 1.12 C ATOM 1461 C GLY A 87 25.722 18.145 26.446 1.00 33.31 C ATOM 1462 O GLY A 87 25.859 18.858 27.439 1.00 22.34 O ATOM 0 H GLY A 87 23.044 17.751 25.708 1.00 43.34 H new ATOM 0 HA2 GLY A 87 25.535 18.670 24.380 1.00 1.12 H new ATOM 0 HA3 GLY A 87 24.538 19.628 25.457 1.00 1.12 H new ATOM 1466 N GLU A 88 26.268 16.938 26.339 1.00 25.32 N ATOM 1467 CA GLU A 88 27.080 16.370 27.410 1.00 75.34 C ATOM 1468 C GLU A 88 28.557 16.360 27.026 1.00 35.43 C ATOM 1469 O GLU A 88 28.920 16.447 25.853 1.00 1.53 O ATOM 1470 CB GLU A 88 26.615 14.948 27.732 1.00 62.32 C ATOM 1471 CG GLU A 88 25.547 14.886 28.811 1.00 61.03 C ATOM 1472 CD GLU A 88 25.243 13.467 29.250 1.00 74.25 C ATOM 1473 OE1 GLU A 88 25.960 12.953 30.133 1.00 22.12 O ATOM 1474 OE2 GLU A 88 24.288 12.870 28.710 1.00 53.23 O ATOM 0 H GLU A 88 26.163 16.335 25.523 1.00 25.32 H new ATOM 0 HA GLU A 88 26.957 16.994 28.295 1.00 75.34 H new ATOM 0 HB2 GLU A 88 26.228 14.487 26.823 1.00 62.32 H new ATOM 0 HB3 GLU A 88 27.474 14.357 28.049 1.00 62.32 H new ATOM 0 HG2 GLU A 88 25.873 15.467 29.674 1.00 61.03 H new ATOM 0 HG3 GLU A 88 24.634 15.351 28.440 1.00 61.03 H new ATOM 1481 N PRO A 89 29.429 16.250 28.039 1.00 44.52 N ATOM 1482 CA PRO A 89 30.881 16.226 27.834 1.00 53.32 C ATOM 1483 C PRO A 89 31.350 14.940 27.162 1.00 52.54 C ATOM 1484 O PRO A 89 30.538 14.136 26.703 1.00 25.13 O ATOM 1485 CB PRO A 89 31.441 16.322 29.255 1.00 44.01 C ATOM 1486 CG PRO A 89 30.365 15.771 30.125 1.00 54.52 C ATOM 1487 CD PRO A 89 29.067 16.142 29.462 1.00 73.21 C ATOM 0 HA PRO A 89 31.213 17.028 27.175 1.00 53.32 H new ATOM 0 HB2 PRO A 89 32.363 15.750 29.356 1.00 44.01 H new ATOM 0 HB3 PRO A 89 31.675 17.353 29.520 1.00 44.01 H new ATOM 0 HG2 PRO A 89 30.458 14.689 30.223 1.00 54.52 H new ATOM 0 HG3 PRO A 89 30.423 16.189 31.130 1.00 54.52 H new ATOM 0 HD2 PRO A 89 28.301 15.384 29.625 1.00 73.21 H new ATOM 0 HD3 PRO A 89 28.673 17.082 29.849 1.00 73.21 H new ATOM 1495 N VAL A 90 32.665 14.753 27.106 1.00 34.42 N ATOM 1496 CA VAL A 90 33.242 13.563 26.491 1.00 13.23 C ATOM 1497 C VAL A 90 34.100 12.791 27.487 1.00 34.02 C ATOM 1498 O VAL A 90 35.059 13.327 28.041 1.00 42.25 O ATOM 1499 CB VAL A 90 34.099 13.926 25.264 1.00 24.34 C ATOM 1500 CG1 VAL A 90 34.602 12.667 24.573 1.00 12.23 C ATOM 1501 CG2 VAL A 90 33.307 14.794 24.299 1.00 61.02 C ATOM 0 H VAL A 90 33.351 15.410 27.479 1.00 34.42 H new ATOM 0 HA VAL A 90 32.410 12.936 26.171 1.00 13.23 H new ATOM 0 HB VAL A 90 34.964 14.496 25.602 1.00 24.34 H new ATOM 0 HG11 VAL A 90 35.206 12.943 23.708 1.00 12.23 H new ATOM 0 HG12 VAL A 90 35.209 12.088 25.269 1.00 12.23 H new ATOM 0 HG13 VAL A 90 33.753 12.067 24.246 1.00 12.23 H new ATOM 0 HG21 VAL A 90 33.928 15.041 23.438 1.00 61.02 H new ATOM 0 HG22 VAL A 90 32.422 14.252 23.965 1.00 61.02 H new ATOM 0 HG23 VAL A 90 33.002 15.712 24.802 1.00 61.02 H new ATOM 1511 N GLN A 91 33.747 11.529 27.710 1.00 61.13 N ATOM 1512 CA GLN A 91 34.485 10.683 28.640 1.00 64.32 C ATOM 1513 C GLN A 91 35.329 9.657 27.890 1.00 20.12 C ATOM 1514 O GLN A 91 36.418 9.294 28.333 1.00 64.23 O ATOM 1515 CB GLN A 91 33.521 9.971 29.590 1.00 21.12 C ATOM 1516 CG GLN A 91 32.685 10.921 30.432 1.00 33.12 C ATOM 1517 CD GLN A 91 31.991 10.222 31.585 1.00 4.42 C ATOM 1518 OE1 GLN A 91 30.792 9.950 31.530 1.00 31.31 O ATOM 1519 NE2 GLN A 91 32.745 9.928 32.639 1.00 55.34 N ATOM 0 H GLN A 91 32.955 11.070 27.260 1.00 61.13 H new ATOM 0 HA GLN A 91 35.152 11.320 29.221 1.00 64.32 H new ATOM 0 HB2 GLN A 91 32.856 9.333 29.008 1.00 21.12 H new ATOM 0 HB3 GLN A 91 34.091 9.318 30.251 1.00 21.12 H new ATOM 0 HG2 GLN A 91 33.325 11.712 30.824 1.00 33.12 H new ATOM 0 HG3 GLN A 91 31.938 11.399 29.799 1.00 33.12 H new ATOM 0 HE21 GLN A 91 33.735 10.172 32.642 1.00 55.34 H new ATOM 0 HE22 GLN A 91 32.333 9.458 33.445 1.00 55.34 H new ATOM 1528 N GLN A 92 34.818 9.194 26.754 1.00 34.11 N ATOM 1529 CA GLN A 92 35.524 8.209 25.944 1.00 24.22 C ATOM 1530 C GLN A 92 36.132 8.858 24.705 1.00 71.20 C ATOM 1531 O GLN A 92 35.434 9.509 23.928 1.00 72.34 O ATOM 1532 CB GLN A 92 34.576 7.082 25.531 1.00 21.22 C ATOM 1533 CG GLN A 92 34.883 5.752 26.202 1.00 54.43 C ATOM 1534 CD GLN A 92 34.080 5.540 27.470 1.00 23.13 C ATOM 1535 OE1 GLN A 92 32.895 5.210 27.421 1.00 51.40 O ATOM 1536 NE2 GLN A 92 34.724 5.728 28.617 1.00 71.44 N ATOM 0 H GLN A 92 33.917 9.485 26.374 1.00 34.11 H new ATOM 0 HA GLN A 92 36.331 7.792 26.547 1.00 24.22 H new ATOM 0 HB2 GLN A 92 33.553 7.373 25.770 1.00 21.22 H new ATOM 0 HB3 GLN A 92 34.626 6.954 24.450 1.00 21.22 H new ATOM 0 HG2 GLN A 92 34.675 4.941 25.504 1.00 54.43 H new ATOM 0 HG3 GLN A 92 35.946 5.705 26.437 1.00 54.43 H new ATOM 0 HE21 GLN A 92 35.707 6.001 28.611 1.00 71.44 H new ATOM 0 HE22 GLN A 92 34.236 5.599 29.503 1.00 71.44 H new ATOM 1545 N SER A 93 37.437 8.676 24.527 1.00 13.43 N ATOM 1546 CA SER A 93 38.139 9.248 23.385 1.00 43.15 C ATOM 1547 C SER A 93 38.163 8.268 22.216 1.00 64.23 C ATOM 1548 O SER A 93 39.139 7.545 22.019 1.00 41.52 O ATOM 1549 CB SER A 93 39.569 9.628 23.776 1.00 53.02 C ATOM 1550 OG SER A 93 40.234 10.280 22.707 1.00 33.45 O ATOM 0 H SER A 93 38.029 8.137 25.159 1.00 13.43 H new ATOM 0 HA SER A 93 37.604 10.145 23.074 1.00 43.15 H new ATOM 0 HB2 SER A 93 39.549 10.281 24.649 1.00 53.02 H new ATOM 0 HB3 SER A 93 40.122 8.733 24.060 1.00 53.02 H new ATOM 0 HG SER A 93 41.145 10.514 22.982 1.00 33.45 H new TER 1556 SER A 93